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28493-41-6

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Basic Information
CAS No.: 28493-41-6
Name: 1-Chlorohexamethylenimine
Article Data: 6
Molecular Structure:
Molecular Structure of 28493-41-6 (1-Chlorohexamethylenimine)
Formula: C6H12ClN
Molecular Weight: 133.62
Synonyms: Hexamethylenimine,1-chloro- (6CI);1-Chloroazepane;1-Chlorohexahydro-1H-azepine;1-Chlorohexamethylenimine;
Density: 1.05 g/cm3
Boiling Point: 168.5 °C at 760 mmHg
Flash Point: 55.7 °C
PSA: 3.24000
LogP: 1.95410
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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