CAS No.77314-81-9,2-DIMETHYLAMINO-ISONICOTINIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	77314-81-9
Name:	2-DIMETHYLAMINO-ISONICOTINIC ACID
Article Data:	1

Formula:	C₈H₁₀N₂O₂
Molecular Weight:	166.18
Synonyms:	4-Pyridinecarboxylic acid, 2-(dimethylamino)-;
Density:	1.247 g/cm³
Boiling Point:	414.2 °C at 760 mmHg
Flash Point:	204.3 °C
Hazard Symbols:	Xi
Risk Codes:	43
Safety:	36/37
PSA:	53.43000
LogP:	0.84580

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Specification

The 2-(Dimethylamino)isonicotinic acid, with the CAS registry number 77314-81-9, is also known as 4-Pyridinecarboxylic acid, 2-(dimethylamino)-. This chemical's molecular formula is C₈H₁₀N₂O₂ and molecular weight is 166.1772. What's more, its systematic name is 2-(Dimethylamino)pyridine-4-carboxylic acid.

Physical properties about 2-(Dimethylamino)isonicotinic acid are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.86; (4)ACD/LogD (pH 7.4): -1.71; (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: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.43 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 45.58 cm³; (15)Molar Volume: 133.1 cm³; (16)Polarizability: 18.07×10^-24 cm³; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.247 g/cm³; (19)Flash Point: 204.3 °C; (20)Enthalpy of Vaporization: 70.34 kJ/mol; (21)Boiling Point: 414.2 °C at 760 mmHg; (22)Vapour Pressure: 1.33E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccnc(N(C)C)c1
(2) InChI: InChI=1/C8H10N2O2/c1-10(2)7-5-6(8(11)12)3-4-9-7/h3-5H,1-2H3,(H,11,12)
(3) InChIKey: ONNSLUVHHJGCMH-UHFFFAOYAV