1-Cyclohexene-1-carboxylicacid, 4-amino- (13372-08-2)

The 1-Cyclohexene-1-carboxylicacid, 4-amino-, with the cas registry number 13372-08-2, is also called 4-Aminocyclohex-1-ene-1-carboxylic acid. Its product belongs to the category of Aminacid. And the molecular formula of the chemical is C₇H₁₁NO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 63.32Ų; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 36.93 cm³; (13)Molar Volume: 117.5 cm³; (14)Polarizability: 14.64×10^-24cm³; (15)Surface Tension: 51.2 dyne/cm; (16)Density: 1.2 g/cm³; (17)Flash Point: 127.7 °C; (18)Enthalpy of Vaporization: 57.95 kJ/mol; (19)Boiling Point: 287.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00063 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C1CC(=CCC1N)C(=O)O
(2)InChI: InChI=1/C7H11NO2/c8-6-3-1-5(2-4-6)7(9)10/h1,6H,2-4,8H2,(H,9,10)
(3)InChIKey: KZUBJABFPQJQGO-UHFFFAOYAA