Basic information
- CAS
330467-69-1- Standard SMILES
Cc1ccc(C(=O)NCc2cccnc2)cc1- InChIKey
VDNOJWSBXQNXBF-UHFFFAOYSA-N- Molecular formula
- C14H14N2O
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.11061307
Names & identifiers
- Preferred name
- 4-methyl-N-(3-pyridinylmethyl)benzamide
- IUPAC
- 4-methyl-N-(pyridin-3-ylmethyl)benzamide
- English name
- 4-methyl-N-(3-pyridinylmethyl)benzamide
- Molecular formula
- C14H14N2O
- Molecular weight
- 226.27
Names & synonyms
4-methyl-N-(3-pyridinylmethyl)benzamide4-methyl-N-(pyridin-3-ylmethyl)benzamide330467-69-1Oprea1_817268Oprea1_836652SCHEMBL2972947SCHEMBL13102334SCHEMBL29437161HMS5213M14STK079963AKOS0027206804-Methyl-N-pyridin-3-ylmethyl-benzamide
Show more names
Benzamide, 4-methyl-N-(3-pyridinylmethyl)-
ST042613(4-methylphenyl)-N-(3-pyridylmethyl)carboxamideAG-670/36669041SR-010003562984-METHYL-N-[(PYRIDIN-3-YL)METHYL]BENZAMIDESR-01000356298-1Z30172992
Database identifiers
- CAS
330467-69-1- PubChem CID
- 669062
- EC Number
- 168-220-0
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 446.7 · 446.7±38.0 °C(Predicted)
- Density
- 1.131 · 1.131±0.06 g/cm3(Predicted)
- pka
- 13.85 · 13.85±0.46(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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