Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-(2-Chloroethyl)hexamethylenimine |
EINECS | 218-613-9 |
CAS No. | 2205-31-4 | Density | 0.984 g/cm3 |
PSA | 3.24000 | LogP | 2.03910 |
Solubility | N/A | Melting Point |
213℃ |
Formula | C8H16ClN | Boiling Point | 213.3 °C at 760 mmHg |
Molecular Weight | 161.675 | Flash Point | 82.8°C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 10 |
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