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3-Pyridinecarboxamide,2-amino-N-methyl- (870997-87-8)

Identification
Name:3-Pyridinecarboxamide,2-amino-N-methyl-
Synonyms:2-Amino-N-methylnicotinamide;N-Methyl-2-aminopyridine-3-carboxamide;2-amino-N-methylpyridine-3-carboxamide;3-pyridinecarboxamide, 2-amino-N-methyl-;N-Methyl-2-aminonicotinamide;
CAS:870997-87-8
Molecular Formula: C7H9N3O
Molecular Weight: 151.17
InChI: InChI=1/C7H9N3O/c1-9-7(11)5-3-2-4-10-6(5)8/h2-4H,1H3,(H2,8,10)(H,9,11)
Molecular Structure: (C7H9N3O) 2-Amino-N-methylnicotinamide;N-Methyl-2-aminopyridine-3-carboxamide;2-amino-N-methylpyridine-3-carbo...
Properties
Density:1.206
Refractive index:1.588
Specification:

The N-Methyl-2-aminonicotinamide, with the CAS registry number 870997-87-8, has the systematic name of 2-amino-N-methylpyridine-3-carboxamide. And the molecular formula of the chemical is C7H9N3O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 2.64; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 67.19; (8)ACD/KOC (pH 7.4): 76.31; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 68.01Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 42.2 cm3; (15)Molar Volume: 125.2 cm3; (16)Polarizability: 16.73×10-24cm3; (17)Surface Tension: 54.4 dyne/cm; (18)Density: 1.206 g/cm3; (19)Flash Point: 179.4 °C; (20)Enthalpy of Vaporization: 62.03 kJ/mol; (21)Boiling Point: 373.1 °C at 760 mmHg; (22)Vapour Pressure: 9.19E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(NC)c1cccnc1N
(2)InChI: InChI=1/C7H9N3O/c1-9-7(11)5-3-2-4-10-6(5)8/h2-4H,1H3,(H2,8,10)(H,9,11)
(3)InChIKey: KOAUKLIDSVHLCP-UHFFFAOYAJ

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