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| CAS No.: | 52334-51-7 |
|---|---|
| Name: | 2-HYDROXY-3-AMINO-5-PICOLINE |
| Molecular Structure: | |
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| Formula: | C6H8N2O |
| Molecular Weight: | 124.142 |
| Synonyms: | 3-Amino-5-methyl-2-pyridone; |
| Density: | 1.137g/cm3 |
| Melting Point: | 119-120ºC |
| Boiling Point: | 337.1 °C at 760 mmHg |
| Flash Point: | 157.6 °C |
| PSA: | 59.14000 |
| LogP: | 1.25900 |
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Specification
The 2(1H)-Pyridinone,3-amino-5-methyl-, with CAS registry number 52334-51-7, belongs to the following product category: Pyridine. It has the systematic name of 3-amino-5-methylpyridin-2(1H)-one. And the chemical formula of this chemical is C6H8N2O.
Physical properties of 2(1H)-Pyridinone,3-amino-5-methyl-: (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): 10.35; (5)ACD/KOC (pH 7.4): 10.44; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 55.12 Å2; (10)Index of Refraction: 1.535; (11)Molar Refractivity: 33.99 cm3; (12)Molar Volume: 109.1 cm3; (13)Polarizability: 13.47×10-24cm3; (14)Surface Tension: 38.3 dyne/cm; (15)Density: 1.137 g/cm3; (16)Flash Point: 157.6 °C; (17)Enthalpy of Vaporization: 58.03 kJ/mol; (18)Boiling Point: 337.1 °C at 760 mmHg; (19)Vapour Pressure: 0.000108 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C\C\1=C\NC(=O)C(/N)=C/1
(2)InChI: InChI=1/C6H8N2O/c1-4-2-5(7)6(9)8-3-4/h2-3H,7H2,1H3,(H,8,9)
(3)InChIKey: LLMWKBGTHYWHGU-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H8N2O/c1-4-2-5(7)6(9)8-3-4/h2-3H,7H2,1H3,(H,8,9)
(5)Std. InChIKey: LLMWKBGTHYWHGU-UHFFFAOYSA-N