Basic information
- CAS
32319-91-8- Standard SMILES
CC(=O)OC1CCC(NC(=O)N(CCCl)N=O)CC1- InChIKey
JJAWJZKHNWZGJD-UHFFFAOYSA-N- Molecular formula
- C11H18ClN3O4
- Average molar mass
- 291.73 g/mol
- Monoisotopic mass
- 291.0985838
Names & identifiers
- Preferred name
- Urea, 3-(4-acetoxycyclohexyl)-1-(2-chloroethyl)-1-nitroso-
- IUPAC
- [4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate
- English name
- 3-[4-(Acetyloxy)cyclohexyl]-1-(2-chloroethyl)-1-nitrosourea
- Molecular formula
- C11H18ClN3O4
- Molecular weight
- 291.73
Names & synonyms
32319-91-8Urea, 3-(4-acetoxycyclohexyl)-1-(2-chloroethyl)-1-nitroso-NSC 117624BRN 39859543-(4-Acetoxycyclohexyl)-1-(2-chloroethyl)-1-nitrosoureaDTXSID00186055Urea, N'-(4-(acetyloxy)cyclohexyl)-N-(2-chloroethyl)-N-nitroso-Urea, N'-[4-(acetyloxy)cyclohexyl]-N-(2-chloroethyl)-N-nitroso-RefChem:387657DTXCID10108546Urea, N'-(4-(acetyloxy)cyclohexyl)-N-(2-chloroethyl)-N-nitroso-(9CI)NSC-117624
Show more names
Acetic acid 4-[[N-(2-chloroethyl)-N-nitrosocarbamoyl]amino]cyclohexyl ester
NSC1176244-{[(2-chloroethyl)(nitroso)carbamoyl]amino}cyclohexyl acetate4UM26YV9PJCHEMBL12637CHEMBL32504343-[4-(Acetyloxy)cyclohexyl]-1-(2-chloroethyl)-1-nitrosoureatrans-1-(2-Chloroethyl)-3-(4-hydroxycyclohexyl)-1-nitrosourea acetate (ester)Urea, 1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)-1-nitroso-, acetate (ester), (E)-
Database identifiers
- CAS
32319-91-8、61137-46-0- PubChem CID
- 97355
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…