Basic information
- CAS
952-92-1- Standard SMILES
NC(=O)C1=CN(Cc2ccccc2)C=CC1- InChIKey
CMNUYDSETOTBDE-UHFFFAOYSA-N- Molecular formula
- C13H14N2O
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.11061307
Overview
structure
Names & identifiers
- Preferred name
- Benzyldihydronicotinamide
- IUPAC
- 1-benzyl-4H-pyridine-3-carboxamide
- English name
- 1-Benzyl-1,4-dihydronicotinamide
- Molecular formula
- C13H14N2O
- Molecular weight
- 214.26
Names & synonyms
1-Benzyl-1,4-dihydronicotinamide952-92-1BenzyldihydronicotinamideN-Benzyl-1,4-dihydronicotinamideNicotinamide, 1-benzyl-1,4-dihydro-3-Pyridinecarboxamide, 1,4-dihydro-1-(phenylmethyl)-HSU8JA8RMPNSC-268991-Benzyl-3-carbamido-1,4-dihydropyridine1,4-dihydro-n-benzylnicotinamideDTXSID90241783BNAH cpd
Show more names
NSC 268991(4H)-BenzylnicotinamideNicotinamide Impurity 155N-BenzyldihydronicotinaMide1(4H)-Benzyl-3-carbamoylpyridine1-Benzyl-1,4-dihydronicotinamide >1-(benzyl)-4H-pyridine-3-carboxamide
RefChem:74980DTXCID201642741-benzyl-1,4-dihydropyridine-3-carboxamideBNAH1-benzyl-4H-pyridine-3-carboxamideMFCD000597691-Benzyl-1,4-dihydro-nicotinamide1,4-Dihydro-N-1-benzylnicotinamide
Database identifiers
- CAS
952-92-1- PubChem CID
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Melting point
- 121 °C · 121°C
- Boiling point
- 433.4 · 433.4±45.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Methanol (Slightly)
- form
- Solid
- pka
- 15.13 · 15.13±0.20(Predicted)
- color
- Yellow
- Stability
- Light Sensitive
- FDA UNII
- 8 JA8RMP · HSU8JA8RMP
- HS Code
- 2933.39 · 2933.39.9200
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933.39.9200
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers45 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
15 records
Compound notes
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