Basic information
- CAS
13991-72-5- Standard SMILES
CC1CCCC(NC(=O)N(CCCl)N=O)C1- InChIKey
FFCHNDRHTRPWMU-UHFFFAOYSA-N- Molecular formula
- C10H18ClN3O2
- Average molar mass
- 247.72 g/mol
- Monoisotopic mass
- 247.1087545
Names & identifiers
- Preferred name
- Urea, N-(2-chloroethyl)-N'-(3-methylcyclohexyl)-N-nitroso-
- IUPAC
- 1-(2-chloroethyl)-3-(3-methylcyclohexyl)-1-nitrosourea
Names & synonyms
13991-72-5Urea, N-(2-chloroethyl)-N'-(3-methylcyclohexyl)-N-nitroso-RefChem:1100826BRN 2855995Urea, 1-(2-chloroethyl)-3-(3-methylcyclohexyl)-1-nitroso-1-(2-Chloroethyl)-3-(3-methylcyclohexyl)-1-nitrosourea61137-63-1NSC 93170NSC93170N-(2-Chloroethyl)-N'-(3-methylcyclohexyl)-N-nitrosoureatrans-1-(2-Chloroethyl)-3-(3-methylcyclohexyl)-1-nitrosoureaUrea, 1-(2-chloroethyl)-3-(3-methylcyclohexyl)-1-nitroso-, (E)-
Show more names
Urea, N-(2-chloroethyl)-N'-(3-methylcyclohexyl)-N-nitroso-, trans-SCHEMBL7131421DTXSID00930656NSC-93170NSC 232961N-(2-Chloroethyl)-N'-(3-methylcyclohexyl)-N-nitrosocarbamimidic acid
Database identifiers
- CAS
13991-72-5、61137-63-1- PubChem CID
- 98253
- DTXSID
DTXSID00930656
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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