chempirical

Bis(2-chloroethyl)amine hydrochloride

C4H10Cl3NCAS 821-48-7178.48 g/mol

Open in Covalent MOL file
HClClNHCl
Alkyl halideSecondary amine

Properties

Molecular formula
C4H10Cl3N
Molar mass
178.48 g/mol
Exact mass
176.9879 Da
Melting point
210 °C
logP
1.48Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
821-48-7
SMILES
Cl.ClCCNCCCl
InChIKey
YMDZDFSUDFLGMX-UHFFFAOYSA-N
InChI
InChI=1S/C4H9Cl2N.ClH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H

Weigh it out

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

Names and synonyms

15 names · show all
  • Ethanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride
  • NSC 10873
  • Nornitrogen mustard hydrochloride
  • 2,2′-Dichlorodiethylamine hydrochloride
  • Bis(β-chloroethyl)amine hydrochloride
  • N,N-Bis(2-chloroethyl)amine hydrochloride
  • β,β′-Dichlorodiethylamine hydrochloride
  • 2-Chloro-N-(2-chloroethyl)ethanamine hydrochloride
  • Bis(2-chloroethyl)ammonium chloride
  • Leo 72a
  • 1,5-Dichloro-3-azapentane hydrochloride
  • Di(2-chloroethyl)amine hydrochloride
  • Bi(2-chloroethyl)amine hydrochloride
  • Ethanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1)
  • Diethylamine, 2,2′-dichloro-, hydrochloride

Work with Bis(2-chloroethyl)amine 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

1,4,7,10-Tetraazacyclododecane, hydrochloride (1:4)10045-25-753 % similar Piperazine hydrochloride142-64-353 % similar Piperidinium chloride6091-44-744 % similar Morpholinium chloride10024-89-240 % similar Diethanolamine hydrochloride14426-21-240 % similar 4,4′-Dipiperidine dihydrochloride78619-84-840 % similar 2-Chloroethylamine hydrochloride870-24-640 % similar Triethylenetetramine dihydrochloride38260-01-438 % similar

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

Elsewhere

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