CAS No.32399-13-6,2-(Methylamino)pyridine-3-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	32399-13-6
Name:	2-(Methylamino)pyridine-3-carboxylic acid
Article Data:	11

Formula:	C₇H₈N₂O₂
Molecular Weight:	152.151
Synonyms:	Nicotinicacid, 2-(methylamino)- (8CI);2-(Methylamino)pyridine-3-carboxylic acid;2-Methylaminonicotinic acid;
Density:	1.327g/cm³
Melting Point:	250-255°C
Boiling Point:	336.5 °C at 760 mmHg
Flash Point:	157.3 °C
Hazard Symbols:	Xi
Risk Codes:	43
Safety:	36/37
PSA:	62.22000
LogP:	0.89450

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Specification

The 2-(Methylamino)pyridine-3-carboxylic acid with cas registry number of 32399-13-6, has the systematic name of 2-(methylamino)pyridine-3-carboxylic acid. And its IUPAC name is the same one. And it is also named 3-pyridinecarboxylic acid, 2-(methylamino)-. Its hazard class is irritant.

Physical properties about this chemical are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.79; (4)ACD/LogD (pH 7.4): -1.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.43 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 40.88 cm³; (15)Molar Volume: 114.6 cm³; (16)Polarizability: 16.2×10^-24cm³; (17)Surface Tension: 62.5 dyne/cm; (18)Enthalpy of Vaporization: 61.18 kJ/mol; (19)Vapour Pressure: 4.38E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cccnc1NC;
(2)InChI: InChI=1/C7H8N2O2/c1-8-6-5(7(10)11)3-2-4-9-6/h2-4H,1H3,(H,8,9)(H,10,11);
(3)InChIKey: SMYTUBMIBZOXTH-UHFFFAOYAW;
(4)Std. InChI: InChI=1S/C7H8N2O2/c1-8-6-5(7(10)11)3-2-4-9-6/h2-4H,1H3,(H,8,9)(H,10,11);
(5)Std. InChIKey: SMYTUBMIBZOXTH-UHFFFAOYSA-N