Basic information
- CAS
1322-50-5- Standard SMILES
O=C(NCc1ccccc1)c1cccnc1- InChIKey
JIAOUYONZMRJJD-UHFFFAOYSA-N- Molecular formula
- C13H12N2O
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.094963
Overview
structure in first source
Names & identifiers
- Preferred name
- Nicotinic acid benzylamide
- IUPAC
- N-benzylpyridine-3-carboxamide
- English name
- N-Benzylnicotinamide
- Molecular formula
- C13H12N2O
- Molecular weight
- 212.2534
Names & synonyms
Nicotinic acid benzylamideRefChem:162966N-Benzylnicotinamide2503-55-1N-benzylpyridine-3-carboxamide1322-50-5Nicotinamide, N-benzyl-3-Pyridinecarboxamide, N-(phenylmethyl)-BENZYL NICOTINAMIDEHF1W0213QPNSC-599923-Pyridinecarboxamide, ar-(phenylmethyl)- (9CI)
Show more names
UNII-HF1W0213QPEINECS 219-705-1NSC 59992Oprea1_664249CBDivE_012405N-benzyl-3-pyridylcarboxamideSCHEMBL354041SCHEMBL1570182
Database identifiers
- CAS
1322-50-5、2503-55-1- PubChem CID
- 98499
- DTXSID
DTXSID0062476- ChEMBL
CHEMBL1739820- UNII
- HF1W0213QP
- EC Number
- 219-705-1、654-307-5
- Nikkaji
- J191.994F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Pyridinecarboxamide, N-(phenylmethyl)-: ACTIVE
Suppliers5 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Related reactions
2 records
Compound notes
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