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CAS No.: | 80352-63-2 |
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Name: | (3-Amino-pyridin-2-yl)-acetic acid |
Molecular Structure: | |
Formula: | C7H8N2O2 |
Molecular Weight: | 152.153 |
Synonyms: | (3-Amino-pyridin-2-yl)-acetic acid;3-Amino-2-pyridineacetic acid;2-(3-AMinopyridin-2-yl)acetic acid |
Density: | 1.354 g/cm3 |
Boiling Point: | 390.985 °C at 760 mmHg |
Flash Point: | 190.261 °C |
PSA: | 76.21000 |
LogP: | 0.87210 |
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The 3-Amino-2-pyridineacetic acid, with the CAS registry number 80352-63-2, is also known as 2-Pyridineacetic acid, 3-amino-. This chemical's molecular formula is C7H8N2O2 and molecular weight is 152.15. What's more, its systematic name is (3-Amino-2-pyridinyl)acetic acid.
Physical properties of 3-Amino-2-pyridineacetic acid are: (1)ACD/LogP: -0.732; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.30; (4)ACD/LogD (pH 7.4): -3.62; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 76.21 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 39.694 cm3; (15)Molar Volume: 112.38 cm3; (16)Polarizability: 15.736×10-24cm3; (17)Surface Tension: 70.5 dyne/cm; (18)Density: 1.354 g/cm3; (19)Flash Point: 190.261 °C; (20)Enthalpy of Vaporization: 67.557 kJ/mol; (21)Boiling Point: 390.985 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation of 3-Amino-2-pyridineacetic acid: this chemical can be prepared by 2-bis(benzyloxycarbonyl)methyl-3-nitropyridine. This reaction will need reagent hydrogen and solvent ethanol with the reaction time of 4 hours. This reaction will also need catalyst 10% palladised charcoal. The yield is about 80%.
Uses of 3-Amino-2-pyridineacetic acid: it can be used to produce 2-methyl-pyridin-3-ylamine by heating. It will need solvent ethanol with the reaction time of 5 hours. The yield is about 86%.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(nc1)CC(=O)O)N
(2)Std. InChI: InChI=1S/C7H8N2O2/c8-5-2-1-3-9-6(5)4-7(10)11/h1-3H,4,8H2,(H,10,11)
(3)Std. InChIKey: MWRPQJISCIAKFV-UHFFFAOYSA-N