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6-Aminomethyl-2-pyridinecarboxylic acid

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Name

6-Aminomethyl-2-pyridinecarboxylic acid

EINECS N/A
CAS No. 160939-10-6 Density 1.321 g/cm3
PSA 76.21000 LogP 0.93880
Solubility N/A Melting Point N/A
Formula C7H8N2O2 Boiling Point 352.407 °C at 760 mmHg
Molecular Weight 166.18 Flash Point 166.93 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 160939-10-6 (6-(AMINOMETHYL)-2-PYRIDINE CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

6-Aminomethyl-2-pyridinecarboxylic acid;6-(Aminomethyl)pyridine-2-carboxylic acid;

Article Data 3

6-Aminomethyl-2-pyridinecarboxylic acid Specification

The 6-Aminomethyl-2-pyridinecarboxylic acid, with the CAS registry number 160939-10-6, is also known as 2-Pyridinecarboxylicacid, 6-(aminomethyl)-, methyl ester. It belongs to the product categories of Glycinescaffold and Pyridine series. This chemical's molecular formula is C7H8N2O2 and molecular weight is 152.15. What's more, its systematic name is called 6-(Aminomethyl)pyridine-2-carboxylic acid.

Physical properties about 6-Aminomethyl-2-pyridinecarboxylic acid 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: 3; (9) Polar Surface Area: 76.21 Å2; (10) Index of Refraction: 1.606; (11) Molar Refractivity: 39.72 cm3; (12) Molar Volume: 115.1 cm3; (13) Surface Tension: 66.9 dyne/cm; (14) Density: 1.321 g/cm3; (15) Flash Point: 166.9 °C; (16) Enthalpy of Vaporization: 63.02 kJ/mol; (17) Boiling Point: 352.4 °C at 760 mmHg; (18) Vapour Pressure: 1.42E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: NCc1cccc(n1)C(O)=O
(2) InChI: InChI=1/C7H8N2O2/c8-4-5-2-1-3-6(9-5)7(10)11/h1-3H,4,8H2,(H,10,11)
(3) InChIKey: KKWKBQBRQWNTPN-UHFFFAOYAE

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