3-Pyridinecarboxylicacid, 4-amino-6-methyl- supplier

Name
3-Pyridinecarboxylicacid,4-amino-6-methyl-(9CI)
EINECS
CAS No. 127915-50-8
Article Data2
CAS DataBase
Density 1.338g/cm³
Solubility
Melting Point
Formula C₇H₈N₂O₂
Boiling Point 385.469 °C at 760 mmHg
Molecular Weight 152.153
Flash Point 186.925 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Amino-6-methylnicotinicacid;4-Amino-6-methylnicotinic acid;
PSA 76.21000
LogP 1.25160

3-Pyridinecarboxylicacid, 4-amino-6-methyl- Specification

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

Product Name

3-Pyridinecarboxylicacid,4-amino-6-methyl-(9CI)

3-Pyridinecarboxylicacid, 4-amino-6-methyl- Specification

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