1-(2-Cyanoethyl)-1-methyl-3-phenylurea
Basic information
- CAS
6640-05-7- Standard SMILES
CN(CCC#N)C(=O)Nc1ccccc1- InChIKey
ZMRWIPXKOQXOBE-UHFFFAOYSA-N- Molecular formula
- C11H13N3O
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.10586205
Names & identifiers
- Preferred name
- 1-(2-Cyanoethyl)-1-methyl-3-phenylurea
- IUPAC
- 1-(2-cyanoethyl)-1-methyl-3-phenylurea
Names & synonyms
6640-05-71-(2-cyanoethyl)-1-methyl-3-phenylureaNSC49070DTXSID70287124NSC-49070AKOS000208043N-(2-Cyanoethyl)-N-methyl-N'-phenylurea
Database identifiers
- CAS
6640-05-7- PubChem CID
- 241563
- DTXSID
DTXSID70287124
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- 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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