chempirical

Carmustine

C5H9Cl2N3O2CAS 154-93-8214.05 g/mol

Open in Covalent MOL file
ONNClONHCl
Alkyl halide

Properties

Molecular formula
C5H9Cl2N3O2
Molar mass
214.05 g/mol
Exact mass
213.0072 Da
Melting point
31 °C
Water solubility
< 1 g/L (17.8 °C)
logP
1.36Crippen estimate
Polar surface area
65.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Hazards

Danger
Acute Toxic (GHS06)Health Hazard (GHS08)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, P501

Identifiers

CAS number
154-93-8
SMILES
O=NN(CCCl)C(O)=NCCCl
InChIKey
DLGOEMSEDOSKAD-UHFFFAOYSA-N
InChI
InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)

Weigh it out

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

Names and synonyms

21 names · show all
  • Urea, N,N′-bis(2-chloroethyl)-N-nitroso-
  • Urea, 1,3-bis(2-chloroethyl)-1-nitroso-
  • N,N′-Bis(2-chloroethyl)-N-nitrosourea
  • BCNU
  • 1,3-Bis(2-chlorethyl)-1-nitrosourea
  • 1,3-Bis(β-chloroethyl)-1-nitrosourea
  • NSC 409962
  • Carmustin
  • 1,3-Bis(2-chloroethyl)-1-nitrosourea
  • BiCNU
  • Gliadel
  • Becenun
  • SK 27702
  • SRI 1720
  • Nitrumon
  • FDA 0345
  • Carmubris
  • DTI 015
  • Gliadel wafer
  • 1,3-Bis(2-chloroethyl)nitrosourea
  • Becenum

Work with Carmustine

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

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

Elsewhere

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