chempirical

Chlorambucil

C14H19Cl2NO2CAS 305-03-3304.21 g/mol

Open in Covalent MOL file
OHONClCl
Alkyl halideCarboxylic acidTertiary amine

Properties

Molecular formula
C14H19Cl2NO2
Molar mass
304.21 g/mol
Exact mass
303.0793 Da
Melting point
64–66 °C
logP
3.38Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
9

Identifiers

CAS number
305-03-3
SMILES
O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1
InChIKey
JCKYGMPEJWAADB-UHFFFAOYSA-N
InChI
InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)

Weigh it out

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

Names and synonyms

21 names · show all
  • γ-[p-Bis(2-chloroethyl)aminophenyl]butyric acid
  • Chloraminophene
  • Chlorobutine
  • γ-[p-Di(2-chloroethyl)aminophenyl]butyric acid
  • Leukeran
  • Chlorbutin
  • Amboclorin
  • NSC 3088
  • Ambochlorin
  • Linfolizin
  • Ecloril
  • Linfolysin
  • Lympholysin
  • Leukeran tablets
  • NCI 3088
  • 4-[4-[Bis(2-chloroethyl)amino]phenyl]butanoic acid
  • Benzenebutanoic acid, 4-[bis(2-chloroethyl)amino]-
  • Butyric acid, 4-[p-[bis(2-chloroethyl)amino]phenyl]-
  • 4-[Bis(2-chloroethyl)amino]benzenebutanoic acid
  • CB 1348
  • 4-[p-[Bis(2-chloroethyl)amino]phenyl]butyric acid

Work with Chlorambucil

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

Bendamustine16506-27-756 % similar 4-Hydroxybenzenebutanoic acid7021-11-655 % similar 4-Methylbenzenebutanoic acid4521-22-654 % similar 4-(4-Fluorophenyl)butanoic acid589-06-054 % similar Bendamustine hydrochloride3543-75-753 % similar Melphalan148-82-350 % similar Benzenepentanoic acid2270-20-450 % similar 4-Methoxybenzenebutanoic acid4521-28-250 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook