Reaxys
PubChem
eMolecules
Reactions (20)
Substances (8)
Structure
Citations (33)
Structure/Compound Data Chemical Name: 1,3-dimethylamylamine Reaxys Registry Number: 1731697
CAS Registry Number: 105-41-9 Type of Substance: acyclic Molecular Formula: C7H17N Linear Structure Formula: C7H17N Molecular Weight: 115.219 InChI Key: YAHRDLICUYEDAU-UHFFFAOYSA-N
1
N° of preparations All Preps | All Reactions 2 prep out of 13 reactions.
Available Data
N° of ref.
Identification Physical Data (7) Spectra (5) Bioactivity (2)
26
Synthesize | Hide Details Find similar Chemical Names and Synonyms 1,3-dimethylamylamine, 1,3-dimethylpentylamine, 4-methyl-2-hexanamine, 1,3-dimethyl-pentylamine, 1,3-Dimethyl-pentylamin, 2-Amino-4-methylhexan, 1,3-Dimethylpentylamin Identification Substance Label (3) Label
Reference
2r
Pang, Shaofeng; Deng, Youquan; Shi, Feng
Chemical Communications, 2015 , vol. 51, # 46 p. 9471 - 9474 Title/Abstract Full Text View citing articles Show Details
DMAA
Safonova, Evgeniya A.; Martynov, Alexander G.; Zolotarevskii, Viktor I.; Nefedov, Sergey E.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.
Dalton Transactions, 2014 , vol. 44, # 3 p. 1366 - 1378 Title/Abstract Full Text View citing articles Show Details
Simson,J.M.; Lwowski,W.
Journal of the American Chemical Society, 1969 , vol. 91, p. 5107 - 5113 Full Text View citing articles Show Details
15
Derivative (1) Comment (Derivative)
Reference
Hydrochlorid: amperometr. Best.
Smith et al.
Analytical Chemistry, 1963 , vol. 35, p. 58,60 Full Text Show Details
Physical Data Boiling Point (2) Boiling Point
Reference
135 - 136 °C
Chiang
J. Chin. chem. Soc., 1951 , vol. 18, p. 65,77 Full Text Show Details
131 - 133 °C
Rohrmann; Shonle
Journal of the American Chemical Society, 1944 , vol. 66, p. 1517,1519 Full Text Show Details
E.Lilly and Co. Patent: US2350318 , 1942 ; Full Text Show Details
Refractive Index (2) Refractive Index
Wavelength (Refractive Index)
Temperature (Refractive Index)
Reference
1.421
589 nm
23.5 °C
Chiang
J. Chin. chem. Soc., 1951 , vol. 18, p. 65,77 Full Text Show Details
1.421
589 nm
24 °C
Rohrmann; Shonle
Journal of the American Chemical Society, 1944 , vol. 66, p. 1517,1519 Full Text Show Details
E.Lilly and Co. Patent: US2350318 , 1942 ; Full Text Show Details
Chromatographic Data (1) Chromatographic data
Reference
LC (Liquid chromatography)
Jeong, Eun Sook; Kim, So-Hee; Cha, Eun-Ju; Lee, Kang Mi; Kim, Ho Jun; Lee, Sang-Won; Kwon, Oh-Seung; Lee, Jaeick
Rapid Communications in Mass Spectrometry, 2015 , vol. 29, # 4 p. 367 - 384 Title/Abstract Full Text View citing articles Show Details
Jeong, Eun Sook; Kim, So-Hee; Cha, Eun-Ju; Lee, Kang Mi; Kim, Ho Jun; Lee, Sang-Won; Kwon, Oh-Seung; Lee, Jaeick
Rapid Communications in Mass Spectrometry, 2015 , vol. 29, # 4 p. 367 - 384 Title/Abstract Full Text Show Details
Dissociation Exponent (1) Comment (Dissociation Exponent)
Reference
(k')
Chatten; Harris
Analytical Chemistry, 1962 , vol. 34, p. 1495,1499 Full Text Show Details
Further Information (1) Description (Further Information)
Reference
Further information
Smith et al.
Analytical Chemistry, 1963 , vol. 35, p. 58,60 Full Text Show Details
Spectra NMR Spectroscopy (1) Description (NMR Spectroscopy)
Nucleus (NMR Spectroscopy)
Reference
Chemical shifts
13C
Eggert,H.; Djerassi,C.
Journal of the American Chemical Society, 1973 , vol. 95, p. 3710 - 3718 Full Text View citing articles Show Details
Mass Spectrometry (4) Description (Mass Spectrometry)
Reference
liquid chromatography mass spectrometry (LCMS) electrospray ionisation (ESI) spectrum
Jeong, Eun Sook; Kim, So-Hee; Cha, Eun-Ju; Lee, Kang Mi; Kim, Ho Jun; Lee, Sang-Won; Kwon, Oh-Seung; Lee, Jaeick
Rapid Communications in Mass Spectrometry, 2015 , vol. 29, # 4 p. 367 - 384 Title/Abstract Full Text Show Details
electrospray ionisation (ESI) spectrum
Jeong, Eun Sook; Kim, So-Hee; Cha, Eun-Ju; Lee, Kang Mi; Kim, Ho Jun; Lee, Sang-Won; Kwon, Oh-Seung; Lee, Jaeick
Rapid Communications in Mass Spectrometry, 2015 , vol. 29, # 4 p. 367 - 384 Title/Abstract Full Text View citing articles Show Details
HRMS (High resolution mass spectrometry) TOFMS (Time of flight mass spectrum) ESI (Electrospray ionisation) LCMS (Liquid chromatography mass spectrometry) Spectrum
Vonaparti; Lyris; Angelis; Panderi; Koupparis; Tsantili-Kakoulidou; Peters; Nielen; Georgakopoulos
Rapid Communications in Mass Spectrometry, 2010 , vol. 24, # 11 p. 1595 - 1609 Title/Abstract Full Text View citing articles Show Details
Gohlke; McLafferty
Analytical Chemistry, 1962 , vol. 34, p. 1281,1283 Full Text Show Details
Bioactivity Pharmacological Data (2) 1 of 2
Comment (Pharmacological Data)
Bioactivities present
Reference
Simson,J.M.; Lwowski,W.
Journal of the American Chemical Society, 1969 , vol. 91, p. 5107 - 5113 Full Text View citing articles Show Details
Eggert,H.; Djerassi,C.
Journal of the American Chemical Society, 1973 , vol. 95, p. 3710 - 3718 Full Text View citing articles Show Details
Novo Nordisk AIS
Patent: US6242443 B1, 2001 ; Title/Abstract Full Text Show Details
Turovskii,A.A. et al.
Journal of Organic Chemistry USSR (English Translation), 1971 , vol. 7, p. 1172 - 1174 Zhurnal Organicheskoi Khimii, 1971 , vol. 7, p. 1141 - 1143 Full Text View citing articles Show Details
Wilkinson Sword,
Patent: GB1476351DE2516610 , 19771975 ; Chem.Abstr., 1976 , vol. 84, # 49829 Full Text Show Details
E.Lilly and Co. Patent: US2455193 , 1944 ; Full Text Show Details
Rohrmann; Shonle
Journal of the American Chemical Society, 1944 , vol. 66, p. 1517,1519 Full Text Show Details
E.Lilly and Co. Patent: US2350318 , 1942 ; Full Text Show Details
Chiang
J. Chin. chem. Soc., 1951 , vol. 18, p. 65,77 Full Text Show Details Cannon et al. Journal of Organic Chemistry, 1957 , vol. 22, p. 1323,1325 Full Text Show Details Smith et al. Analytical Chemistry, 1963 , vol. 35, p. 58,60
Full Text Show Details
Chatten; Harris
Analytical Chemistry, 1962 , vol. 34, p. 1495,1499 Full Text Show Details
Gohlke; McLafferty
Analytical Chemistry, 1962 , vol. 34, p. 1281,1283 Full Text Show Details
Thomas, Brian F.; Francisco, Ma. Elena Y.; Seltzman, Herbert H.; Thomas, James B.; Fix, Scott E.; Schulz, Anne-Kathrin; Gilliam, Anne F.; Pertwee, Roger G.; Stevenson, Leslie A.
Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 18 p. 5463 - 5474 Title/Abstract Full Text View citing articles Show Details
Vonaparti; Lyris; Angelis; Panderi; Koupparis; Tsantili-Kakoulidou; Peters; Nielen; Georgakopoulos
Rapid Communications in Mass Spectrometry, 2010 , vol. 24, # 11 p. 1595 - 1609 Title/Abstract Full Text View citing articles Show Details
Title/Abstract Full Text Show Details
Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals, 1989, 11 (), 957, 1989 , vol. 11, p. 957 Full Text Show Details
Safonova, Evgeniya A.; Martynov, Alexander G.; Zolotarevskii, Viktor I.; Nefedov, Sergey E.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.
Dalton Transactions, 2014 , vol. 44, # 3 p. 1366 - 1378 Title/Abstract Full Text View citing articles Show Details
Jeong, Eun Sook; Kim, So-Hee; Cha, Eun-Ju; Lee, Kang Mi; Kim, Ho Jun; Lee, Sang-Won; Kwon, Oh-Seung; Lee, Jaeick
Rapid Communications in Mass Spectrometry, 2015 , vol. 29, # 4 p. 367 - 384 Title/Abstract Full Text View citing articles Show Details
Jeong, Eun Sook; Kim, So-Hee; Cha, Eun-Ju; Lee, Kang Mi; Kim, Ho Jun; Lee, Sang-Won; Kwon, Oh-Seung; Lee, Jaeick
Rapid Communications in Mass Spectrometry, 2015 , vol. 29, # 4 p. 367 - 384 Title/Abstract Full Text Show Details
2 of 2
Comment (Pharmacological Data)
Bioactivities present
Reference
Pang, Shaofeng; Deng, Youquan; Shi, Feng
Chemical Communications, 2015 , vol. 51, # 46 p. 9471 - 9474 Title/Abstract Full Text View citing articles Show Details
Wójtowicz, Marzena; Jarek, Anna; Chajewska, Katarzyna; Kwiatkowska, Dorota
Analytical and Bioanalytical Chemistry, 2016 , vol. 408, # 18 p. 5041 - 5047 Title/Abstract Full Text View citing articles Show Details
Wójtowicz, Marzena; Jarek, Anna; Chajewska, Katarzyna; Kwiatkowska, Dorota
Analytical and Bioanalytical Chemistry, 2016 , vol. 408, # 18 p. 5041 - 5047 Title/Abstract Full Text Show Details
Viana, Carine; Zemolin, Gabriela M.; Müller, Larissa S.; Molin, Thaís R. Dal; Seiffert, Helena; de Carvalho, Leandro M.; De Carvalho, Leandro M.
Food Additives and Contaminants - Part A Chemistry, Analysis, Control, Exposure and Risk Assessment, 2015 , vol. 33, # 1 p. 1 - 9 Title/Abstract Full Text Show Details
Mowry, James B.; Spyker, Daniel A.; Cantilena, Louis R.; McMillan, Naya; Ford, Marsha
Clinical Toxicology, 2014 , vol. 52, # 10 p. 1032 - 1283 Title/Abstract Full Text Show Details
Thevis, Mario; Geyer, Hans; Tretzel, Laura; Schänzer, Wilhelm
Journal of Pharmaceutical and Biomedical Analysis, 2016 , vol. 130, p. 220 - 230 Title/Abstract Full Text Show Details
Chemical Name: 1,3-dimethyl-pentylamine hydrochloride
2
Reaxys Registry Number: 6314491
Type of Substance: acyclic Molecular Formula: C7H17N*ClH Linear Structure Formula: C7H17N*ClH Molecular Weight: 151.68 InChI Key: ZKKBPHUAHARETG-UHFFFAOYSA-N
Synthesize | Hide Details Find similar Chemical Names and Synonyms 1,3-dimethyl-pentylamine hydrochloride, forthane hydrochloride, Methylhexanamin-hydrochlorid Identification Substance Label (1) Label
Reference
1 prep out of 3 reactions.
Identification Physical Data (1) Spectra (3)
4
Gajda, Tadeusz; Napieraj, Anna; Osowska-Pacewicka, Krystyna; Zawadzki, Stefan; Zwierzak, Andrzej
Tetrahedron, 1997 , vol. 53, # 13 p. 4935 - 4946 Title/Abstract Full Text View citing articles Show Details
3d
Physical Data Melting Point (1) Melting Point
Reference
132 - 134 °C
Sinsheimer,J.E.; Smith,E.
Journal of Pharmaceutical Sciences, 1963 , vol. 52, p. 1080 - 1085 Full Text View citing articles Show Details
Spectra NMR Spectroscopy (2) Description (NMR Spectroscopy)
Nucleus (NMR Spectroscopy)
Chemical shifts
1H
1H
Coupling Nuclei
1H
Solvents (NMR Spectroscopy)
Frequency (NMR Spectroscopy)
D2O
200 MHz
Gajda, Tadeusz; Napieraj, Anna; Osowska-Pacewicka, Krystyna; Zawadzki, Stefan; Zwierzak, Andrzej
Tetrahedron, 1997 , vol. 53, # 13 p. 4935 - 4946 Title/Abstract Full Text View citing articles Show Details
D2O
200 MHz
Gajda, Tadeusz; Napieraj, Anna; Osowska-Pacewicka, Krystyna; Zawadzki, Stefan; Zwierzak, Andrzej
Tetrahedron, 1997 , vol. 53, # 13 p. 4935 - 4946 Title/Abstract Full Text View citing articles Show Details
Reference
IR Spectroscopy (1) Description (IR Spectroscopy)
Reference
Bands
Sinsheimer; Keuhnelian
Journal of pharmaceutical sciences, 1966 , vol. 55, # 11 p. 1240 - 1244 Title/Abstract Full Text View citing articles Show Details
Chemical Name: 1,3-dimethyl-pentylamine; sulfate
no reactions.
Physical Data (2)
Reaxys Registry Number: 3914867
CAS Registry Number: 5684-94-6 Type of Substance: acyclic Molecular Formula: 2C7H17N*H2O4S Linear Structure Formula: 2C7H17N*H2O4S Molecular Weight: 328.517 InChI Key: BEYVNPVSKXOCGY-UHFFFAOYSA-N
3
Synthesize | Hide Details Find similar Chemical Names and Synonyms 1,3-dimethyl-pentylamine; sulfate, 1,3-Dimethyl-pentylamin; Sulfat Physical Data Melting Point (2) Melting Point
Comment (Melting Point)
Reference Chiang
J. Chin. chem. Soc., 1951 , vol. 18, p. 65,77 Full Text Show Details
215 - 220 °C
Sintert oberhalb 215grad; schmilzt unscharf.
Rohrmann; Shonle
Journal of the American Chemical Society, 1944 , vol. 66, p. 1517,1519 Full Text Show Details
2
Chemical Name: <3-D>-1,3-Dimethylpentylamin Reaxys Registry Number: 2635999
CAS Registry Number: 60111-12-8 Type of Substance: acyclic Molecular Formula: C7H17N Linear Structure Formula: C7H16DN Molecular Weight: 116.211 InChI Key: YAHRDLICUYEDAU-RAMDWTOOSA-N
4
1 prep out of 2 reactions.
Identification
1
Synthesize | Hide Details Find similar Chemical Names and Synonyms <3-D>-1,3-Dimethylpentylamin, [3-D]-1,3-Dimethylpentylamin Identification Substance Label (1) Label
Reference
3-D-43
Kirmse,W. et al.
Chemische Berichte, 1976 , vol. 109, p. 2296 - 2314 Full Text View citing articles Show Details
Chemical Name: 1,3-dimethyl-pentylamine; carbonate Reaxys Registry Number: 3691028
Type of Substance: acyclic Molecular Formula: CH2O3*2C7H17N Linear Structure Formula: 2C7H17N*CH2O3
Molecular Weight: 292.462 InChI Key: ZYJUDVSXBGJTBO-UHFFFAOYSA-N
0 prep out of 1 reactions.
1
5
Synthesize | Hide Details Find similar Chemical Names and Synonyms 1,3-dimethyl-pentylamine; carbonate, 1,3-Dimethyl-pentylamin; Carbonat Chemical Name: (3S)-1,3-Dimethylpentylamin Reaxys Registry Number: 6711019
Type of Substance: acyclic Molecular Formula: C7H17N Linear Structure Formula: C7H17N Molecular Weight: 115.219 InChI Key: YAHRDLICUYEDAU-PKPIPKONSA-N 6
Synthesize | Hide Details Find similar
0 prep out of 1 reactions.
Identification Spectra (1)
1
Chemical Names and Synonyms (3S)-1,3-Dimethylpentylamin Identification Substance Label (1) Label
Reference
43
Kirmse,W. et al.
Chemische Berichte, 1976 , vol. 109, p. 2296 - 2314 Full Text View citing articles Show Details
Spectra IR Spectroscopy (1) Description (IR Spectroscopy)
Reference
Bands
Kirmse,W. et al.
Chemische Berichte, 1976 , vol. 109, p. 2296 - 2314 Full Text View citing articles Show Details
Reaxys Registry Number: 29837422
Molecular Formula: C7H17N Linear Structure Formula: C7H17N Molecular Weight: 115.219 InChI Key: YAHRDLICUYEDAU-NKWVEPMBSA-N
7
no reactions.
Identification
1
Synthesize | Hide Details Find similar
Identification Substance Label (1) Label
Reference
355
RIDEOUT, Darryl; LEDERMAN, Seth; DAUGHERTY, Bruce; GERSHELL, Leland, J.
Patent: WO2016/105448 A1, 2016 ; Title/Abstract Full Text Show Details
Patent-Specific Data (1) Prophetic Compound
Location in Patent
Reference
prophetic product
Page/page column 537
RIDEOUT, Darryl; LEDERMAN, Seth; DAUGHERTY, Bruce; GERSHELL, Leland, J.
Patent: WO2016/105448 A1, 2016 ; Title/Abstract Full Text Show Details
Reaxys Registry Number: 29837424
Molecular Formula: C7H17N Linear Structure Formula: C7H17N Molecular Weight: 115.219 InChI Key: YAHRDLICUYEDAU-RNFRBKRXSA-N
8
no reactions.
Identification
1
Synthesize | Hide Details Find similar
Identification Substance Label (1) Label
Reference
356
RIDEOUT, Darryl; LEDERMAN, Seth; DAUGHERTY, Bruce; GERSHELL, Leland, J.
Patent: WO2016/105448 A1, 2016 ; Title/Abstract Full Text Show Details
Patent-Specific Data (1) Prophetic Compound
Location in Patent
Reference
prophetic product
Page/page column 537
RIDEOUT, Darryl; LEDERMAN, Seth; DAUGHERTY, Bruce; GERSHELL, Leland, J.
Patent: WO2016/105448 A1, 2016 ; Title/Abstract Full Text Show Details