62451-88-1 62451-88-1 62451-88-1
This chemical is called Amino(pyridin-2-yl)acetic acid, and its CAS registry number is 62451-88-1. With the molecular formula of C7H8N2O2, its molecular weight is 152.15. Additionally, its product category is Glycinescaffold.
Other characteristics of the Amino(pyridin-2-yl)acetic acid can be summarised as followings: (1)ACD/LogP: -0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.05; (4)ACD/LogD (pH 7.4): -3.06; (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: 1.596; (14)Molar Refractivity: 38.99 cm3; (15)Molar Volume: 114.5 cm3; (16)Polarizability: 15.45×10-24cm3; (17)Surface Tension: 66.8 dyne/cm; (18)Density: 1.328 g/cm3; (19)Flash Point: 139.3 °C; (20)Enthalpy of Vaporization: 57.79 kJ/mol; (21)Boiling Point: 306.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00033 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C(N)c1ncccc1
2.InChI: InChI=1/C7H8N2O2/c8-6(7(10)11)5-3-1-2-4-9-5/h1-4,6H,8H2,(H,10,11)
3.InChIKey: JTOBAFRWEGCWGI-UHFFFAOYAG
This chemical is called Amino(pyridin-2-yl)acetic acid, and its CAS registry number is 62451-88-1. With the molecular formula of C7H8N2O2, its molecular weight is 152.15. Additionally, its product category is Glycinescaffold.
Other characteristics of the Amino(pyridin-2-yl)acetic acid can be summarised as followings: (1)ACD/LogP: -0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.05; (4)ACD/LogD (pH 7.4): -3.06; (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: 1.596; (14)Molar Refractivity: 38.99 cm3; (15)Molar Volume: 114.5 cm3; (16)Polarizability: 15.45×10-24cm3; (17)Surface Tension: 66.8 dyne/cm; (18)Density: 1.328 g/cm3; (19)Flash Point: 139.3 °C; (20)Enthalpy of Vaporization: 57.79 kJ/mol; (21)Boiling Point: 306.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00033 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C(N)c1ncccc1
2.InChI: InChI=1/C7H8N2O2/c8-6(7(10)11)5-3-1-2-4-9-5/h1-4,6H,8H2,(H,10,11)
3.InChIKey: JTOBAFRWEGCWGI-UHFFFAOYAG
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