Basic information
- CAS
18364-87-9- Standard SMILES
NCc1ccc(C(=O)NCc2ccccc2)cc1- InChIKey
UTRFMKCWPPXWTE-UHFFFAOYSA-N- Molecular formula
- C15H16N2O
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.12626314
Names & identifiers
- Preferred name
- 4-(aminomethyl)-N-benzylbenzamide
- IUPAC
- 4-(aminomethyl)-N-benzylbenzamide
- English name
- 4-(aminomethyl)-N-benzylbenzamide
- Molecular formula
- C15H16N2O
- Molecular weight
- 240.3
Names & synonyms
CHEMBL149190SCHEMBL506656BDBM50408782AKOS000148554DA-173444-(aminomethyl)-N-benzylbenzamideBenzamide, 4-(aminomethyl)-N-(phenylmethyl)-
Database identifiers
- CAS
18364-87-9- PubChem CID
- 20113118
- ChEMBL
CHEMBL149190
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 464.6 · 464.6±38.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- pka
- 15.01 · 15.01±0.46(Predicted)
Chemistry & industry
Suppliers1 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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