2-Methyl-1H-imidazole-4-carboxylic acid supplier

Name
2-Methyl-1H-imidazole-4-carboxylic acid
EINECS 215-943-5
CAS No. 1457-58-5
Article Data7
CAS DataBase
Density 1.404 g/cm³
Solubility
Melting Point
Formula C₅H₆N₂O₂
Boiling Point 475.8 °C at 760 mmHg
Molecular Weight 126.115
Flash Point 241.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Imidazole-4-carboxylicacid, 2-methyl- (9CI);Imidazole-4(or 5)-carboxylic acid, 2-methyl- (7CI);Imidazole-4-carboxylic acid, 2-methyl- (8CI);2-Methyl-1H-imidazole-4-carboxylic acid;2-Methyl-4-carboxyimidazole;2-Methyl-4-imidazolecarboxylic acid;NSC 109147;
PSA 65.98000
LogP 0.41630

2-Methyl-1H-imidazole-4-carboxylic acid Specification

The CAS register number of 2-Methyl-1H-imidazole-4-carboxylic acid is 1457-58-5. It also can be called as 1H-Imidazole-5-carboxylicacid, 2-methyl- and the systematic name about this chemical is 2-methyl-1H-imidazole-5-carboxylic acid. The molecular formula about this chemical is C₅H₆N₂O₂and molecular weight is 126.11. It belongs to the following product categories which include Pharmacetical; Heterocycle and so on.

Physical properties about 2-Methyl-1H-imidazole-4-carboxylic acid are: (1)ACD/LogP: -0.69; (2)ACD/LogD (pH 5.5): -3.17; (3)ACD/LogD (pH 7.4): -3.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 44.12Å²; (12)Index of Refraction: 1.595; (13)Molar Refractivity: 30.53 cm³; (14)Molar Volume: 89.7 cm³; (15)Polarizability: 12.1x10^-24cm³; (16)Surface Tension: 71.1 dyne/cm; (17)Enthalpy of Vaporization: 77.89 kJ/mol; (18)Boiling Point: 475.8 °C at 760 mmHg; (19)Vapour Pressure: 7.36E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cnc(n1)C
(2)InChI: InChI=1/C5H6N2O2/c1-3-6-2-4(7-3)5(8)9/h2H,1H3,(H,6,7)(H,8,9)
(3)InChIKey: DTUIYOVMTFYCBZ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C5H6N2O2/c1-3-6-2-4(7-3)5(8)9/h2H,1H3,(H,6,7)(H,8,9)
(5)Std. InChIKey: DTUIYOVMTFYCBZ-UHFFFAOYSA-N

Product Name

2-Methyl-1H-imidazole-4-carboxylic acid

2-Methyl-1H-imidazole-4-carboxylic acid Specification

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