1-(2-Chloroethyl)hexamethylenimine supplier

Name
1-(2-Chloroethyl) hexamethylenimine
EINECS 218-613-9
CAS No. 2205-31-4
Article Data10
CAS DataBase
Density 0.984 g/cm³
Solubility
Melting Point 213℃
Formula C₈H₁₆ClN
Boiling Point 213.3 °C at 760 mmHg
Molecular Weight 161.675
Flash Point 82.8°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hexamethylenimine,1-(2-chloroethyl)- (6CI,7CI);1-(2-Chloroethyl)azepane;1-(2-Chloroethyl)hexahydro-1H-azepine;1-(2-Chloroethyl)hexahydroazepine;1-(2-Chloroethyl)hexamethylenimine;2-(Azepan-1-yl)ethyl chloride;2-(Hexamethyleneimin-1-yl)ethyl chloride;2-Hexamethyleneiminoethyl chloride;N-(2-Chloroethyl)hexahydro-1H-azepine;N-(2-Chloroethyl)hexamethyleneimine;
PSA 3.24000
LogP 2.03910

1-(2-Chloroethyl)hexamethylenimine Specification

The IUPAC name of 1-(2-Chloroethyl) hexamethylenimine is 1-(2-chloroethyl)azepane. With the CAS registry number 2205-31-4, it is also named as N-(2-Chloroethyl)-hexamethyleneimine. The product's classification code is Mutation data. In addition, its molecular formula is C₈H₁₆ClN and molecular weight is 161.67.

The other characteristics of 1-(2-Chloroethyl) hexamethylenimine can be summarized as: (1)EINECS: 218-613-9; (2)ACD/LogP: 2.49; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.29; (5)ACD/LogD (pH 7.4): 1.3; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 2.98; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 35.01; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 3.24 Å²; (14)Index of Refraction: 1.465; (15)Molar Refractivity: 45.41 cm³; (16)Molar Volume: 164.2 cm³; (17)Polarizability: 18×10^-24cm³; (18)Surface Tension: 30.5 dyne/cm; (19)Density: 0.984 g/cm³; (20)Flash Point: 82.8 °C; (21)Enthalpy of Vaporization: 44.97 kJ/mol; (22)Boiling Point: 213.3 °C at 760 mmHg; (23)Vapour Pressure: 0.165 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: ClCCN1CCCCCC1
(2)InChI: InChI=1/C8H16ClN/c9-5-8-10-6-3-1-2-4-7-10/h1-8H2
(3)InChIKey: FEZWHSLWYVTEDN-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H16ClN/c9-5-8-10-6-3-1-2-4-7-10/h1-8H2
(5)Std. InChIKey: FEZWHSLWYVTEDN-UHFFFAOYSA-N

Product Name

1-(2-Chloroethyl) hexamethylenimine

1-(2-Chloroethyl)hexamethylenimine Specification

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