1H-Imidazole-5-carboxylicacid, 2-ethyl- supplier

Name
2-ETHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID
EINECS 282-568-1
CAS No. 84255-21-0
Density 1.318 g/cm³
Solubility
Melting Point
Formula C₆H₈N₂O₂
Boiling Point 447.29 °C at 760 mmHg
Molecular Weight 140.142
Flash Point 224.313 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Imidazole-4-carboxylicacid, 2-ethyl- (9CI);2-ethyl-1H-imidazole-5-carboxylic acid;1H-imidazole-4-carboxylic acid, 2-ethyl-;
PSA 65.98000
LogP 0.67030

1H-Imidazole-5-carboxylicacid, 2-ethyl- Specification

The 1H-Imidazole-5-carboxylicacid, 2-ethyl-, with the CAS registry number 84255-21-0 and EINECS registry number 282-568-1, has the systematic name and IUPAC name of 2-ethyl-1H-imidazole-5-carboxylic acid. It belongs to the product category of Carboxylic acid. And the molecular formula of the chemical is C₆H₈N₂O₂.

The characteristics of 1H-Imidazole-5-carboxylicacid, 2-ethyl- are as followings: (1)ACD/LogP: 0.68; (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: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 65.98 Å²; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 35.257 cm³; (13)Molar Volume: 106.326 cm³; (14)Polarizability: 13.977×10^-24cm³; (15)Surface Tension: 63.164 dyne/cm; (16)Density: 1.318 g/cm³; (17)Flash Point: 224.313 °C; (18)Enthalpy of Vaporization: 74.361 kJ/mol; (19)Boiling Point: 447.29 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCc1[nH]cc(n1)C(=O)O
(2)InChI: InChI=1/C6H8N2O2/c1-2-5-7-3-4(8-5)6(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
(3)InChIKey: NRIUQHNTFFNDMW-UHFFFAOYAM

Product Name

2-ETHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID

1H-Imidazole-5-carboxylicacid, 2-ethyl- Specification

Related Products

Hot Products