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CAS No.: | 500755-89-5 |
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Name: | 2-Amino-2-(3-methylpyridin-4-yl)acetic acid |
Molecular Structure: | |
Formula: | C8H10N2O2 |
Molecular Weight: | 166.18 |
Synonyms: | 4-Pyridineacetic acid, a-amino-3-methyl-; |
Density: | 1.27 g/cm3 |
Boiling Point: | 355.9 °C at 760 mmHg |
Flash Point: | 169.1 °C |
PSA: | 76.21000 |
LogP: | 1.17470 |
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The 2-Amino-2-(3-methylpyridin-4-yl)acetic acid, with the CAS registry number 500755-89-5, is also known as 4-Pyridineacetic acid, a-amino-3-methyl-. It belongs to the product categories of Glycinescaffold; Pharmacetical. This chemical's molecular formula is C8H10N2O2 and molecular weight is 166.18. What's more, its systematic name is Amino(3-methylpyridin-4-yl)acetic acid.
Physical properties about 2-Amino-2-(3-methylpyridin-4-yl)acetic acid are: (1)ACD/LogP: -0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.67; (4)ACD/LogD (pH 7.4): -2.64; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 43.82 cm3; (15)Molar Volume: 130.8 cm3; (16)Polarizability: 17.37×10-24 cm3; (17)Surface Tension: 60.7 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 169.1 °C; (20)Enthalpy of Vaporization: 63.43 kJ/mol; (21)Boiling Point: 355.9 °C at 760 mmHg; (22)Vapour Pressure: 1.11E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(N)c1ccncc1C
(2) InChI: InChI=1/C8H10N2O2/c1-5-4-10-3-2-6(5)7(9)8(11)12/h2-4,7H,9H2,1H3,(H,11,12)
(3) InChIKey: JBKDLZYZYQFTMK-UHFFFAOYAD