Basic information
- CAS
34243-68-0- Standard SMILES
NCc1ccccc1.O=C(O)c1ccccc1- InChIKey
YAQDPZIUXFPKJQ-UHFFFAOYSA-N- Molecular formula
- C14H15NO2
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.11027872
Names & identifiers
- Preferred name
- 1-Phenylmethanamine benzoate(1:1)
- IUPAC
- benzoic acid;phenylmethanamine
Names & synonyms
1-phenylmethanamine benzoate(1:1)NSC126791SCHEMBL5791057SCHEMBL28088000DTXSID00298889NSC-126791Benzoic acid--1-phenylmethanamine (1/1)
Database identifiers
- CAS
34243-68-0- PubChem CID
- 277779
- DTXSID
DTXSID00298889
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 159
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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