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Name
N-BENZYL-4-(BENZYLAMINO)PICOLINAMIDE
- EINECS
- CAS No. 913836-29-0
- Density 1.202 g/cm3
- Solubility
- Melting Point
- Formula C20H19N3O
- Boiling Point 556.5 °C at 760 mmHg
- Molecular Weight 317.38436
- Flash Point 290.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols Xi
- Synonyms N-benzyl-4-(benzylamino)pyridine-2-carboxamide
- PSA 54.02000
- LogP 4.08760
2-Pyridinecarboxamide,N-(phenylmethyl)-4-[(phenylmethyl)amino]- Specification
The 2-Pyridinecarboxamide,N-(phenylmethyl)-4-[(phenylmethyl)amino]-, with CAS registry number 913836-29-0, belongs to the following product categories: (1)Blocks; (2)Pyridines. It has the systematic name of N-benzyl-4-(benzylamino)pyridine-2-carboxamide. And the chemical formula of this chemical is C20H19N3O.
Physical properties of 2-Pyridinecarboxamide,N-(phenylmethyl)-4-[(phenylmethyl)amino]-: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 2.71; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 54.02 Å2; (9)Index of Refraction: 1.652; (10)Molar Refractivity: 96.55 cm3; (11)Molar Volume: 263.8 cm3; (12)Polarizability: 38.27×10-24cm3; (13)Surface Tension: 54.7 dyne/cm; (14)Density: 1.202 g/cm3; (15)Flash Point: 290.3 °C; (16)Enthalpy of Vaporization: 83.81 kJ/mol; (17)Boiling Point: 556.5 °C at 760 mmHg; (18)Vapour Pressure: 2.02E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)CNc2ccnc(c2)C(=O)NCc3ccccc3
(2)InChI: InChI=1/C20H19N3O/c24-20(23-15-17-9-5-2-6-10-17)19-13-18(11-12-21-19)22-14-16-7-3-1-4-8-16/h1-13H,14-15H2,(H,21,22)(H,23,24)
(3)InChIKey: FUROWHQALJOYFF-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C20H19N3O/c24-20(23-15-17-9-5-2-6-10-17)19-13-18(11-12-21-19)22-14-16-7-3-1-4-8-16/h1-13H,14-15H2,(H,21,22)(H,23,24)
(5)Std. InChIKey: FUROWHQALJOYFF-UHFFFAOYSA-N
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