Basic information
- CAS
91561-27-2- Standard SMILES
CC(Cc1ccccc1)NC(=O)NCCCl- InChIKey
RPPAYBVAKVEDBE-UHFFFAOYSA-N- Molecular formula
- C12H17ClN2O
- Average molar mass
- 240.73 g/mol
- Monoisotopic mass
- 240.1029409
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)-
- IUPAC
- 1-(2-chloroethyl)-3-(1-phenylpropan-2-yl)urea
Names & synonyms
91561-27-2Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)-RefChem:11007321-(2-chloroethyl)-3-(1-phenylpropan-2-yl)ureaNSC 1623471-(2-Chloroethyl)-3-(1-methyl-2-phenylethyl)ureaNSC162346DTXSID501384985NSC162331NSC162347AKOS024343892NSC-162331
Show more names
NSC-162346NSC-162347N-(2-chloroethyl)-N'-(1-methyl-2-phenylethyl)urea
Database identifiers
- CAS
91561-27-2- PubChem CID
- 98992
- DTXSID
DTXSID501384985- Nikkaji
- J83.894B、J83.895K、J83.896I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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