Basic information
- CAS
77113-52-1- Standard SMILES
N#CCCNC(=O)N(CCCl)N=O- InChIKey
RHHUHIRUWQOEIH-UHFFFAOYSA-N- Molecular formula
- C6H9ClN4O2
- Average molar mass
- 204.61 g/mol
- Monoisotopic mass
- 204.0414032
Names & identifiers
- Preferred name
- N-(2-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea
- IUPAC
- 1-(2-chloroethyl)-3-(2-cyanoethyl)-1-nitrosourea
Names & synonyms
77113-52-1DTXSID60320231N-(2-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosoureaRefChem:360593DTXCID00271354NSC356540NSC-3565401-(2-chloroethyl)-1-nitroso-3-(2-cyanoethyl)-urea
Database identifiers
- CAS
77113-52-1- PubChem CID
- 337680
- DTXSID
DTXSID60320231
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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