chempirical

β-(Hexahydro-1H-azepin-1-yl)ethyl chloride hydrochloride

C8H17Cl2NCAS 26487-67-2198.13 g/mol

Open in Covalent MOL file
HClClN
Alkyl halideTertiary amine

Properties

Molecular formula
C8H17Cl2N
Molar mass
198.13 g/mol
Exact mass
197.0738 Da
Melting point
208 °C (decomposes)
logP
2.52Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
26487-67-2
SMILES
Cl.ClCCN1CCCCCC1
InChIKey
ZQDSOUPBYJIPNM-UHFFFAOYSA-N
InChI
InChI=1S/C8H16ClN.ClH/c9-5-8-10-6-3-1-2-4-7-10;/h1-8H2;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 1H-Azepine, 1-(2-chloroethyl)hexahydro-, hydrochloride (1:1)
  • Hexamethylenimine, 1-(2-chloroethyl)-, hydrochloride
  • 1-(2-Chloroethyl)hexahydro-1H-azepine hydrochloride
  • 2-(Hexamethyleneimino)ethyl chloride hydrochloride
  • 1-(2-Chloroethyl)hexamethyleneimine hydrochloride
  • 1-(2-Chloroethyl)azepane hydrochloride
  • 1-(2-Chloroethyl)-azacycloheptane hydrochloride
  • N-(2-Chloroethyl)hexahydro-1H-azepine hydrochloride
  • 1H-Azepine, 1-(2-chloroethyl)hexahydro-, hydrochloride

Work with β-(Hexahydro-1H-azepin-1-yl)ethyl chloride hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(2-Chloroethyl)piperidine hydrochloride2008-75-5100 % similar 1-(2-Chloroethyl)pyrrolidine hydrochloride7250-67-194 % similar 1-(2-Chloroethyl)piperidine1932-03-283 % similar 4-(2-Chloroethyl)morpholine hydrochloride3647-69-658 % similar 2-(Diethylamino)ethyl chloride hydrochloride869-24-954 % similar 4-(3-Chloropropyl)morpholine hydrochloride57616-74-754 % similar 3-(4-Methyl-1-piperazinyl)propyl chloride dihydrochloride2031-23-452 % similar 4-(2-Chloroethyl)morpholine3240-94-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(2-Chloroethyl)-1-methylpiperidine hydrochloride58878-37-8

Elsewhere

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