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Molecule record

1,3-bis(2-chloroethyl)-1-nitrosourea

C5H9Cl2N3O2

214.05 g/mol

Loading structure

Molecular properties

Formula
C5H9Cl2N3O2
Molar mass
214.05 g·mol−1
Exact mass
213.0072 Da
2
PubChem CID
2578

Functional groups

Alkane / alkyl carbon
Alkyl halide
Amide
Secondary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 154-93-8
  • BCNU
  • Becenum
  • Becenun
  • BiCNU
  • Bischlorethylnitrosourea
  • Bischlorethylnitrosurea
  • Bischloroethyl nitrosourea
Show all 24 synonyms
  • Bischloroethylnitrosourea
  • Carmubris
  • Carmustin
  • Carmustina
  • Carmustinum
  • DTXSID8022743
  • FDA 0345
  • FIVB
  • N,N'-BIS(2-CHLOROETHYL)-N-NITROSOUREA
  • NCI-C04773
  • NSC-409962
  • Nitrumon
  • SK 27702
  • SRI 1720
  • Urea, N,N'-bis(2-chloroethyl)-N-nitroso-
  • carmustine

Structure identifiers

Canonical SMILES
O=NN(CCCl)C(=O)NCCCl
Isomeric SMILES
C(CCl)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)
InChIKey
DLGOEMSEDOSKAD-UHFFFAOYSA-N
PubChem CID
2578

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1,3-bis(2-chloroethyl)-1-nitrosourea; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1,3-bis(2-chloroethyl)-1-nitrosourea; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record