1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea

HCID 262467

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Basic information

CAS: 13908-16-2
Standard SMILES: CC1CC(NC(=O)NCCCl)CC(C)(C)C1
InChIKey: DSLTZAHFAWMNRS-UHFFFAOYSA-N
Molecular formula: C12H23ClN2O
Average molar mass: 246.78 g/mol
Monoisotopic mass: 246.1498911

Names & identifiers

Preferred name: 1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea
IUPAC: 1-(2-chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea

Names & synonyms

13908-16-2NSC 959731-(2-chloroethyl)-3-(3,3,5-trimethylcyclohexyl)ureaNSC95973DTXSID00294361NSC-95973N-(2-Chloroethyl)-N'-(3,3,5-trimethylcyclohexyl)ureaUrea, 1-(2-chloroethyl)-3-(3,3,5-trimethylcyclohexyl)-

Database identifiers

CAS: 13908-16-2
PubChem CID: 262467
DTXSID: DTXSID00294361

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 243

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