1-(2-Chloroethyl)-3-(2,6-dimethyltetrahydro-2h-pyran-4-yl)urea
Basic information
- CAS
33021-61-3- Standard SMILES
CC1CC(NC(=O)NCCCl)CC(C)O1- InChIKey
CVDVSIKJJSGWLT-UHFFFAOYSA-N- Molecular formula
- C10H19ClN2O2
- Average molar mass
- 234.72 g/mol
- Monoisotopic mass
- 234.1135055
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-3-(2,6-dimethyltetrahydro-2h-pyran-4-yl)urea
- IUPAC
- 1-(2-chloroethyl)-3-(2,6-dimethyloxan-4-yl)urea
Names & synonyms
33021-61-31-(2-chloroethyl)-3-(2,6-dimethyltetrahydro-2h-pyran-4-yl)ureaNSC125650DTXSID90298737NSC-125650N-(2-Chloroethyl)-N'-(2,6-dimethyloxan-4-yl)urea
Database identifiers
- CAS
33021-61-3- PubChem CID
- 277147
- DTXSID
DTXSID90298737
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 204
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