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3-Pyridineacetic acid,6-amino-

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  • Name 3-Pyridineacetic acid,6-amino-
  • EINECSN/A
  • CAS No. 39658-45-2
  • Density1.353 g/cm3
  • PSA76.94000
  • LogP0.22100
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC7H8N2O2
  • Boiling Point378.7 °C at 760 mmHg
  • Molecular Weight152.153
  • Flash Point182.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 39658-45-2 (6-Aminopyridine-3-acetic acid)
  • Hazard SymbolsN/A
  • SynonymsN/A

3-Pyridineacetic acid,6-amino- Specification

The 3-Pyridineacetic acid,6-amino-, with the CAS registry number 39658-45-2, is also known as 2-Aminopyridine-5-acetic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C7H8N2O2 and molecular weight is 152.1506. What's more, its systematic name is called (6-Aminopyridin-3-yl)acetic acid.

Physical properties about 3-Pyridineacetic acid,6-amino- 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): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 76.21 Å2; (10)Index of Refraction: 1.624; (11)Molar Refractivity: 39.69 cm3; (12)Molar Volume: 112.3 cm3; (13)Polarizability: 15.73×10-24 cm3; (14)Surface Tension: 70.5 dyne/cm; (15)Density: 1.353 g/cm3; (16)Flash Point: 182.8 °C; (17)Enthalpy of Vaporization: 66.1 kJ/mol; (18)Boiling Point: 378.7 °C at 760 mmHg; (19)Vapour Pressure: 2.07E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1ccc(CC(O)=O)cn1
(2) InChI: InChI=1/C7H8N2O2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H2,8,9)(H,10,11)
(3) InChIKey: CKUZZJJDLFBRDE-UHFFFAOYAX

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