Basic information
- CAS
6320-63-4- Standard SMILES
O=C(NCc1ccccc1)c1ccncc1- InChIKey
YIGMDKYIWMVZDV-UHFFFAOYSA-N- Molecular formula
- C13H12N2O
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.09496301
Names & identifiers
- Preferred name
- N-benzylpyridine-4-carboxamide
- IUPAC
- N-benzylpyridine-4-carboxamide
- English name
- N-Benzylpyridine-4-carboxamide
- Molecular formula
- C13H12N2O
- Molecular weight
- 212.25
Names & synonyms
N-benzylpyridine-4-carboxamideRefChem:829289861-994-7n-benzylisonicotinamide6320-63-4MFCD00452869NSC31253CBMicro_030904Oprea1_407553N-benzyl-4-pyridylcarboxamiden-benzyl-4-pyridinecarboxamideSCHEMBL1569194
Show more names
Benzyl Benzoate Impurity 184-Pyridinecarboxamide, N-(phenylmethyl)-
SCHEMBL7371434CHEMBL5491559DTXSID50283407YIGMDKYIWMVZDV-UHFFFAOYSA-NGAA32063NSC-31253NSC525461STK409629
Database identifiers
- CAS
6320-63-4- PubChem CID
- 233151
- DTXSID
DTXSID50283407- ChEMBL
CHEMBL5491559- EC Number
- 861-994-7
- Nikkaji
- J1.329.107A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 84.5 · 84.5-85 °C
- Boiling point
- 457.9 · 457.9±28.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- pka
- 13.52 · 13.52±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers14 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海氟瑞化学科技有限公司021-52230662 13795399395 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
1 records
Compound notes
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