Query Query S
H N
1. Query
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Date
3 substances in Reaxys
2018-06-17 19h:12m:02s (UTC)
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Reaxys ID 112888 View in Reaxys
1/3
S
Chemical Name: methiopropamine; methyl-(1-methyl-2-[2]thienylethyl)-amine; Methyl-(1-methyl-2-[2]thienyl-aethyl)-amin Linear Structure Formula: C8H13NS Molecular Formula: C8H13NS Molecular Weight: 155.264 Type of Substance: heterocyclic InChI Key: HPHUWHKFQXTZPS-UHFFFAOYSA-N Note:
H N
Druglikeness (1) 1 of 1
LogP
1.214
H Bond Donors
1
H Bond Acceptors
1
Rotatable Bonds
3
TPSA
40.27
Lipinski Number
4
Veber Number
2
Boiling Point (1) Boiling Point [°C] 85 - 88
Pressure (Boiling Point) [Torr]
References
14
Blicke; Burckhalter; Journal of the American Chemical Society; vol. 64; (1942); p. 477,479, View in Reaxys
Mass Spectrometry (1) Description (Mass References Spectrometry) time-of-flight mass spectra (TOFMS); spectrum
Lanza, Matteo; Acton, W. Joe; Sulzer, Philipp; Breiev, Kostiantyn; Jürschik, Simone; Jordan, Alfons; Hartungen, Eugen; Hanel, Gernot; Märk, Lukas; Märk, Tilmann D.; Mayhew, Chris A.; Journal of Mass Spectrometry; vol. 50; nb. 2; (2015); p. 427 - 431, View in Reaxys
Reaxys ID 3695400 View in Reaxys
S
2/3 CAS Registry Number: 7464-94-0 Chemical Name: methyl-(1-methyl-2-[2]thienyl-ethyl)-amine; hydrochloride; Methyl-(1-methyl-2-[2]thienyl-aethyl)-amin; Hydrochlorid Linear Structure Formula: C8H13NS*ClH Molecular Formula: C8H13NS*ClH Molecular Weight: 191.725 Type of Substance: heterocyclic InChI Key: GZPAWYXVXNYUGT-UHFFFAOYSA-N Note:
H N Cl
H
Druglikeness (1) 1 of 1
LogP
1.726
H Bond Donors
1
H Bond Acceptors
1
Rotatable Bonds
3
TPSA
40.27
Lipinski Number
4
Veber Number
2
Melting Point (1) 1 of 1
Melting Point [°C]
133 - 135
Solvent (Melting Point)
ethanol; diethyl ether
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Blicke; Burckhalter; Journal of the American Chemical Society; vol. 64; (1942); p. 477,479, View in Reaxys
Reaxys ID 29033138 View in Reaxys
3/3 Chemical Name: methiopropamine Linear Structure Formula: C8H13NS Molecular Formula: C8H13NS Molecular Weight: 155.264 InChI Key: HPHUWHKFQXTZPS-SSDOTTSWSA-N Note:
S H N
Druglikeness (1) 1 of 1
LogP
1.214
H Bond Donors
1
H Bond Acceptors
1
Rotatable Bonds
3
TPSA
40.27
Lipinski Number
4
Veber Number
2
NMR Spectroscopy (2) 1 of 2
Description (NMR Spectroscopy)
Chemical shifts; Spectrum
Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectroscopy)
chloroform-d1
Location
supporting information
Lee; Silverson; Jones; Ho; Fletcher; McNaul; Peters; Speers; Bell; Chemical Communications; vol. 52; nb. 3; (2015); p. 493 - 496, View in Reaxys 2 of 2
Description (NMR Spectroscopy)
Chemical shifts; Spectrum
Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectroscopy)
chloroform-d1
Location
supporting information
Lee; Silverson; Jones; Ho; Fletcher; McNaul; Peters; Speers; Bell; Chemical Communications; vol. 52; nb. 3; (2015); p. 493 - 496, View in Reaxys Mass Spectrometry (1) Description (Mass Location Spectrometry)
References
gas chromatograsupporting informa- Lee; Silverson; Jones; Ho; Fletcher; McNaul; Peters; Speers; Bell; Chemical Communicaphy mass spectrom- tion tions; vol. 52; nb. 3; (2015); p. 493 - 496, View in Reaxys etry (GCMS); fragmentation pattern; spectrum Raman Spectroscopy (1) Description (Ram- References an Spectroscopy) Bands; Spectrum
Lee; Silverson; Jones; Ho; Fletcher; McNaul; Peters; Speers; Bell; Chemical Communications; vol. 52; nb. 3; (2015); p. 493 - 496, View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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2018-06-17 19:23:42