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Name	1-Chloroazepane	EINECS	N/A
CAS No.	28493-41-6	Density	1.05 g/cm³
PSA	3.24000	LogP	1.95410
Solubility	N/A	Melting Point	N/A
Formula	C₆H₁₂ClN	Boiling Point	168.5 °C at 760 mmHg
Molecular Weight	133.62	Flash Point	55.7 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Hexamethylenimine,1-chloro- (6CI);1-Chloroazepane;1-Chlorohexahydro-1H-azepine;1-Chlorohexamethylenimine;	Article Data	6

1-Chloroazepane Specification

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: 3.24Å²; (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

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