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5-Dimethylaminonicotinic acid

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  • Name 5-Dimethylaminonicotinic acid
  • EINECSN/A
  • CAS No. 30766-20-2
  • Density1.247 g/cm3
  • PSA53.43000
  • LogP0.84580
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC8H10N2O2
  • Boiling Point355.9 °C at 760 mmHg
  • Molecular Weight166.18
  • Flash Point169 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 30766-20-2 (5-(Dimethylamino)nicotinic Acid)
  • Hazard SymbolsN/A
  • SynonymsN/A

5-Dimethylaminonicotinic acid Specification

The 3-Pyridinecarboxylicacid, 5-(dimethylamino)-, with the CAS registry number 30766-20-2, is also known as 5-(Dimethylamino)nicotinic Acid. It belongs to the product categories of Amino Acids and Derivatives; Heterocycles. This chemical's molecular formula is C8H10N2O2 and molecular weight is 166.1772. What's more, its systematic name is called 5-(Dimethylamino)pyridine-3-carboxylic acid.

Physical properties about 3-Pyridinecarboxylicacid, 5-(dimethylamino)- are: (1)ACD/LogP: 0.93; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.05; (4)ACD/LogD (pH 7.4): -2.1; (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: 169 °C; (20)Enthalpy of Vaporization: 63.42 kJ/mol; (21)Boiling Point: 355.9 °C at 760 mmHg; (22)Vapour Pressure: 1.11E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cncc(N(C)C)c1
(2) InChI: InChI=1/C8H10N2O2/c1-10(2)7-3-6(8(11)12)4-9-5-7/h3-5H,1-2H3,(H,11,12)
(3) InChIKey: BZUPYORMYVQEMK-UHFFFAOYAK

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