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CAS No.: | 127915-50-8 |
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Name: | 3-Pyridinecarboxylicacid,4-amino-6-methyl-(9CI) |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H8N2O2 |
Molecular Weight: | 152.153 |
Synonyms: | 4-Amino-6-methylnicotinicacid;4-Amino-6-methylnicotinic acid; |
Density: | 1.338g/cm3 |
Boiling Point: | 385.469 °C at 760 mmHg |
Flash Point: | 186.925 °C |
PSA: | 76.21000 |
LogP: | 1.25160 |
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The 3-Pyridinecarboxylicacid, 4-amino-6-methyl-, with CAS registry number 127915-50-8, belongs to the following product category: Carboxylicacid. It has the systematic name of 4-amino-6-methylpyridine-3-carboxylic acid. And the chemical formula of this chemical is C7H8N2O2.
Physical properties of 3-Pyridinecarboxylicacid, 4-amino-6-methyl-: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 76.21 Å2; (11)Index of Refraction: 1.627; (12)Molar Refractivity: 40.335 cm3; (13)Molar Volume: 113.742 cm3; (14)Polarizability: 15.99×10-24cm3; (15)Surface Tension: 68.336 dyne/cm; (16)Density: 1.338 g/cm3; (17)Flash Point: 186.925 °C; (18)Enthalpy of Vaporization: 66.902 kJ/mol; (19)Boiling Point: 385.469 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(c(cn1)C(=O)O)N
(2)InChI: InChI=1/C7H8N2O2/c1-4-2-6(8)5(3-9-4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)
(3)InChIKey: WUSQVMYMTQCNAV-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H8N2O2/c1-4-2-6(8)5(3-9-4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)
(5)Std. InChIKey: WUSQVMYMTQCNAV-UHFFFAOYSA-N