Query Query
1. Query
N
Results
Date
1 substances in Reaxys
2018-06-21 00h:54m:26s (UTC)
N
Search as: As drawn ))
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.
1/2
2018-06-21 00:54:57
Reaxys ID 2717227 View in Reaxys
1/1 CAS Registry Number: 42419-57-8 Chemical Name: 1-diethylamino-1-cyclohexanecarbonitrile Linear Structure Formula: C11H20N2 Molecular Formula: C11H20N2 Molecular Weight: 180.293 Type of Substance: isocyclic InChI Key: HLOJFJXMLGNYDL-UHFFFAOYSA-N Note:
N
N
Substance Label (2) Label References 10
Bailey, Keith; Legault, Donald; Organic Magnetic Resonance; vol. 15; nb. 1; (1981); p. 68 - 71, View in Reaxys
XVII
Shakhidoyatov,Kh.; Zhurnal Organicheskoi Khimii; vol. 9; (1973); p. 1373 - 1376,1401 - 1404, View in Reaxys
Druglikeness (1) 1 of 1
LogP
1.983
H Bond Donors
0
H Bond Acceptors
2
Rotatable Bonds
3
TPSA
27.03
Lipinski Number
4
Veber Number
2
Boiling Point (1) Boiling Point [°C] 103
Pressure (Boiling Point) [Torr]
References
5
Shakhidoyatov,Kh.; Zhurnal Organicheskoi Khimii; vol. 9; (1973); p. 1373 - 1376,1401 - 1404, View in Reaxys
Refractive Index (1) Refractive Index Wavelength (ReTemperature (Refractive Index) [nm] fractive Index) [°C] 1.4682
589
20
References Shakhidoyatov,Kh.; Zhurnal Organicheskoi Khimii; vol. 9; (1973); p. 1373 - 1376,1401 - 1404, View in Reaxys
Conformation (1) Object of Investiga- References tion Conformation
Bailey, Keith; Legault, Donald; Organic Magnetic Resonance; vol. 15; nb. 1; (1981); p. 68 - 71, View in Reaxys
NMR Spectroscopy (1) 1 of 1
Description (NMR Spectroscopy)
Chemical shifts
Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectroscopy)
CDCl3
Bailey, Keith; Legault, Donald; Organic Magnetic Resonance; vol. 15; nb. 1; (1981); p. 68 - 71, 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.
2/2
2018-06-21 00:54:57