N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea
Basic information
- CAS
13909-10-9- Standard SMILES
CC1CC(NC(=O)N(CCCl)N=O)CC(C)(C)C1- InChIKey
VELVBXHUHDAZSG-UHFFFAOYSA-N- Molecular formula
- C12H22ClN3O2
- Average molar mass
- 275.77 g/mol
- Monoisotopic mass
- 275.1400546
Names & identifiers
- Preferred name
- N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea
- IUPAC
- 1-(2-chloroethyl)-1-nitroso-3-(3,3,5-trimethylcyclohexyl)urea
- English name
- 1-(2-Chloroethyl)-1-nitroso-3-(3,3,5-trimethylcyclohexyl)urea
- Molecular formula
- C12H22ClN3O2
- Molecular weight
- 275.77
Names & synonyms
13909-10-9RefChem:1091023N-(2-chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea1-(2-Chloroethyl)-1-nitroso-3-(3,3,5-trimethylcyclohexyl)ureaNSC 95463BRN 2864054Urea, 1-(2-chloroethyl)-1-nitroso-3-(3,3,5-trimethylcyclohexyl)-NSC95463CHEMBL275300DTXSID30930341Urea,3,5-trimethyl- cyclohexyl)-NSC-95463
Show more names
Urea, N-(2-chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)-
N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)carbamimidic acid
Database identifiers
- CAS
13909-10-9- PubChem CID
- 98269
- DTXSID
DTXSID30930341- ChEMBL
CHEMBL275300- Nikkaji
- J83.907H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 10.92 · 10.92±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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