1H-Azepine,1-chlorohexahydro- (28493-41-6)

The CAS register number of 1-Chloroazepane is 28493-41-6. It also can be called as 1-Chlorohexahydro-1H-azepine and the systematic name about this chemical is 1-chloroazepane. The molecular formula about this chemical is C₆H₁₂ClN and the molecular weight is 133.62.

Physical properties about 1-Chloroazepane are: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 1.96; (4)ACD/BCF (pH 5.5): 18.11; (5)ACD/BCF (pH 7.4): 18.11; (6)ACD/KOC (pH 5.5): 276.77; (7)ACD/KOC (pH 7.4): 276.77; (8)#H bond acceptors: 1; (9)Polar Surface Area: 3.24Ų; (10)Index of Refraction: 1.485; (11)Molar Refractivity: 36.49 cm³; (12)Molar Volume: 127.2 cm³; (13)Polarizability: 14.46x10^-24cm³; (14)Surface Tension: 33.4 dyne/cm; (15)Enthalpy of Vaporization: 40.49 kJ/mol; (16)Boiling Point: 168.5 °C at 760 mmHg; (17)Vapour Pressure: 1.62 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClN1CCCCCC1
(2)InChI: InChI=1/C6H12ClN/c7-8-5-3-1-2-4-6-8/h1-6H2
(3)InChIKey: CDYRMRYPCWFFDE-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H12ClN/c7-8-5-3-1-2-4-6-8/h1-6H2
(5)Std. InChIKey: CDYRMRYPCWFFDE-UHFFFAOYSA-N