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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 | Hazard Symbols | N/A | |
Synonyms |
6-Aminomethyl-2-pyridinecarboxylic acid;6-(Aminomethyl)pyridine-2-carboxylic acid; |
Article Data | 3 |
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