3-Pyridinecarboxamide,N-(phenylmethyl)- supplier

Name
N-BENZYLNICOTINAMIDE
EINECS 219-705-1
CAS No. 2503-55-1
Article Data62
CAS DataBase
Density 1.155 g/cm³
Solubility
Melting Point 72-73 °C
Formula C₁₃H₁₂N₂O
Boiling Point 457.9 °C at 760 mmHg
Molecular Weight 212.251
Flash Point 230.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Nicotinamide,N-benzyl- (7CI,8CI);N-Benzylnicotinamide;N-Nicotinoylbenzylamine;NSC 59992;Nicotinic acid benzylamide;
PSA 41.99000
LogP 2.40250

3-Pyridinecarboxamide,N-(phenylmethyl)- Specification

This chemical is called 3-Pyridinecarboxamide,N-(phenylmethyl)-, and its IUPAC name is N-benzylpyridine-3-carboxamide. With the molecular formula of C₁₃H₁₂N₂O, its molecular weight is 212.2472. The CAS registry number of this chemical is 2503-55-1.

Other characteristics of the 3-Pyridinecarboxamide,N-(phenylmethyl)- can be summarised as followings: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 22.57; (6)ACD/BCF (pH 7.4): 22.69; (7)ACD/KOC (pH 5.5): 323.53; (8)ACD/KOC (pH 7.4): 325.12; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 33.2 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 62.45 cm³; (15)Molar Volume: 183.7 cm³; (16)Polarizability: 24.75×10^-24cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.155 g/cm³; (19)Flash Point: 230.7 °C; (20)Enthalpy of Vaporization: 71.81 kJ/mol; (21)Boiling Point: 457.9 °C at 760 mmHg; (22)Vapour Pressure: 1.44E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(NCc1ccccc1)c2cccnc2
2.InChI: InChI=1/C13H12N2O/c16-13(12-7-4-8-14-10-12)15-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,15,16)
3.InChIKey: JIAOUYONZMRJJD-UHFFFAOYAQ

Product Name

N-BENZYLNICOTINAMIDE

3-Pyridinecarboxamide,N-(phenylmethyl)- Specification

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