Basic information
- CAS
33073-61-9- Standard SMILES
CCOC(=O)C1CCCC(NC(=O)N(CCCl)N=O)C1- InChIKey
YFDRQXFULJWHDW-UHFFFAOYSA-N- Molecular formula
- C12H20ClN3O4
- Average molar mass
- 305.76 g/mol
- Monoisotopic mass
- 305.1142338
Names & identifiers
- Preferred name
- cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester
- IUPAC
- ethyl 3-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate
Names & synonyms
cis-3-(3-(2-Chloroethyl)-3-nitrosoureido)cyclopentanecarboxylic acid ethyl ester33073-61-9NSC 102724Cyclohexanecarboxylic acid, 3-(N-nitroso-N-(2-chloroethyl)ureido)-, ethyl ester, (Z)-cis-1-(2-Chloroethyl)-3-(3-ethoxycarbonylcyclohexyl)-1-nitrosoureaCyclohexanecarboxylic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester, (Z)-CHEMBL12895Cyclohexanecarboxylic acid, 3-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, ethyl ester, cis-DS-010632
Database identifiers
- CAS
33073-61-9- PubChem CID
- 98320
- ChEMBL
CHEMBL12895
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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