Basic information
- CAS
13909-04-1- Standard SMILES
CC1(NC(=O)N(CCCl)N=O)CCCC1- InChIKey
IYBJGNAJINQPDR-UHFFFAOYSA-N- Molecular formula
- C9H16ClN3O2
- Average molar mass
- 233.69 g/mol
- Monoisotopic mass
- 233.0931045
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-(1-methylcyclopentyl)-1-nitroso-
- IUPAC
- 1-(2-chloroethyl)-3-(1-methylcyclopentyl)-1-nitrosourea
- English name
- 1-(2-Chloroethyl)-3-(1-methylcyclopentyl)-1-nitrosourea
- Molecular weight
- 0
Names & synonyms
1-(2-Chloroethyl)-3-(1-methylcyclopentyl)-1-nitrosourea13909-04-1NSC 95987BRN 2852525Urea, 1-(2-chloroethyl)-3-(1-methylcyclopentyl)-1-nitroso-Urea, 1-(2-chloroethyl)-3-(1-methylcyclopentyl)-N-nitroso-Urea, N-(2-chloroethyl)-N'-(1-methylcyclopentyl)-N-nitroso-DTXSID50160901RefChem:387319DTXCID9083392Urea, 1-(2-chloroethyl)-3-(1-methylcyclopentyl)-N-nitroso-(8CI)Urea, N-(2-chloroethyl)-N'-(1-methylcyclopentyl)-N-nitroso-(9CI)
Show more names
NSC95987NCIOpen2_006303CHEMBL267308NSC-95987N-(2-chloroethyl)-N'-(1-methylcyclopentyl)-N-nitrosourea
Database identifiers
- CAS
13909-04-1- PubChem CID
- 96997
- DTXSID
DTXSID50160901- ChEMBL
CHEMBL267308- Nikkaji
- J83.889F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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