1-Benzyl-1-(2-cyanoethyl)urea
Basic information
- CAS
717-73-7- Standard SMILES
N#CCCN(Cc1ccccc1)C(N)=O- InChIKey
RXKAMACKHPSYRK-UHFFFAOYSA-N- Molecular formula
- C11H13N3O
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.10586205
Names & identifiers
- Preferred name
- 1-Benzyl-1-(2-cyanoethyl)urea
- IUPAC
- 1-benzyl-1-(2-cyanoethyl)urea
Names & synonyms
717-73-7NSC 666871-benzyl-1-(2-cyanoethyl)ureaNSC66687Urea,N-(2-cyanoethyl)-N-(phenylmethyl)-NCIOpen2_002948N-Benzyl-N-(2-cyanoethyl)ureaDTXSID70290113NSC-66687DS-012541
Database identifiers
- CAS
717-73-7- PubChem CID
- 248963
- DTXSID
DTXSID70290113
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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