The 1-Aminocyclopentanecarbonitrile hydrochloride, with the cas registry number 16195-83-8, is also called 1-aminocyclopentane carbonitrile, HCl. It belongs to the product category of Cycloalkanes. And the molecular formula of the chemical is C6H10N2.HCl.
The characteristics of this chemical are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 12.29; (5)ACD/KOC (pH 7.4): 18.07; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 49.81 Å2; (10)Flash Point: 107.7 °C; (11)Enthalpy of Vaporization: 50.19 kJ/mol; (12)Boiling Point: 254.5 °C at 760 mmHg; (13)Vapour Pressure: 0.0136 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.N#CC1(N)CCCC1
(2)InChI: InChI=1/C6H10N2.ClH/c7-5-6(8)3-1-2-4-6;/h1-4,8H2;1H
(3)InChIKey: KZUVFEAHMVSCMQ-UHFFFAOYAG
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