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Vitamin PP

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Name

Vitamin PP

EINECS 234-265-0
CAS No. 11032-50-1 Density 1.205 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C6H6N2O Boiling Point 334.411 °C at 760 mmHg
Molecular Weight 122.1246 Flash Point 156.047 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 11032-50-1 (Vitamin PP) Hazard Symbols N/A
Synonyms

Nicotinamida;

 

Vitamin PP Specification

The Vitamin PP, with the CAS registry number of 11032-50-1, is also known as Nicotinamida. This chemical's molecular formula is C6H6N2O and molecular weight is 122.124640. What's more, its IUPAC name is Pyridine-3-carboxamide.

Physical properties about the Vitamin PP are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 14.918; (5)ACD/KOC (pH 7.4): 15.016; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 55.98 Å2; (10)Index of Refraction: 1.57; (11)Molar Refractivity: 33.274 cm3; (12)Molar Volume: 101.358 cm3; (13)Surface Tension: 54.863 dyne/cm; (14)Density: 1.205 g/cm3; (15)Flash Point: 156.047 °C; (16)Enthalpy of Vaporization: 57.737 kJ/mol; (17)Boiling Point: 334.411 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(cnc1)C(=O)N
(2) InChI: InChI=1/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
(3) InChIKey: DFPAKSUCGFBDDF-UHFFFAOYAZ

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