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3-(Aminomethyl)pyridyl salicylate

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  • Name 3-(Aminomethyl)pyridyl salicylate
  • EINECS251-852-7
  • CAS No. 34148-38-4
  • DensityN/A
  • PSAN/A
  • LogPN/A
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC13H14N2O3
  • Boiling Point336.3 °C at 760 mmHg
  • Molecular Weight246.266
  • Flash Point144.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 34148-38-4 (salicylic acid, compound with pyridine-3-methylamine (1:1))
  • Hazard SymbolsN/A
  • SynonymsN/A

3-(Aminomethyl)pyridyl salicylate Specification

The 3-(Aminomethyl)pyridyl salicylate, with the CAS registry number 34148-38-4, is also known as 2-Hydroxybenzoic acid - 1-(pyridin-3-yl)methanamine (1:1). Its EINECS registry number is 251-852-7. This chemical's molecular formula is C13H14N2O3 and molecular weight is 246.2619. What's more, its IUPAC name is 2-Hydroxybenzoic acid; pyridin-3-ylmethanamine.

Physical properties about 3-(Aminomethyl)pyridyl salicylate are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.93; (4)ACD/LogD (pH 7.4): -1.09; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Flash Point: 144.5 °C; (14)Enthalpy of Vaporization: 61.16 kJ/mol; (15)Boiling Point: 336.3 °C at 760 mmHg; (16)Vapour Pressure: 4.45E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c(O)cccc1.n1cccc(c1)CN
(2) InChI: InChI=1/C7H6O3.C6H8N2/c8-6-4-2-1-3-5(6)7(9)10;7-4-6-2-1-3-8-5-6/h1-4,8H,(H,9,10);1-3,5H,4,7H2
(3) InChIKey: FRLFYILRHPWIEA-UHFFFAOYAX

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