Cas no 1420873-78-4 (4-N-(Pyridin-2-ylmethyl)cyclohexane-1,4-diamine;hydrochloride)
1420873-78-4 structure
Product Name:4-N-(Pyridin-2-ylmethyl)cyclohexane-1,4-diamine;hydrochloride
CAS No:1420873-78-4
MF:C12H20ClN3
MW:241.760301589966
CID:2164376
Update Time:2023-08-05
4-N-(Pyridin-2-ylmethyl)cyclohexane-1,4-diamine;hydrochloride Chemical and Physical Properties
Names and Identifiers
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- (1R,4r)-n1-(pyridin-2-ylmethyl)cyclohexane-1,4-diamine hydrochloride
- N1-(pyridin-2-ylmethyl)cyclohexane-1,4-diamine hydrochloride
- 4-N-(Pyridin-2-ylmethyl)cyclohexane-1,4-diamine;hydrochloride
-
- Inchi： 1S/C12H19N3.ClH/c13-10-4-6-11(7-5-10)15-9-12-3-1-2-8-14-12;/h1-3,8,10-11,15H,4-7,9,13H2;1H
- InChI Key： LFBOZGJRHGCTJB-UHFFFAOYSA-N
- SMILES： Cl.N(CC1C=CC=CN=1)C1CCC(CC1)N
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 176
- Topological Polar Surface Area: 50.9
4-N-(Pyridin-2-ylmethyl)cyclohexane-1,4-diamine;hydrochloride Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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