1H-Imidazole-1-aceticacid, α-methyl- supplier

Name
1H-Imidazole-1-aceticacid,alpha-methyl-(9CI)
EINECS
CAS No. 753489-91-7
Density 1.27 g/cm³
Solubility
Melting Point
Formula C₆H₈N₂O₂
Boiling Point 358.2 °C at 760 mmHg
Molecular Weight 140.142
Flash Point 170.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Imidazole-1-aceticacid,alpha-methyl-(9CI);2-(1H-imidazol-1-yl)propanoic acid(SALTDATA: FREE)
PSA 55.12000
LogP 0.52870

1H-Imidazole-1-aceticacid, α-methyl- Specification

The 1H-Imidazole-1-aceticacid, α-methyl- is an organic compound with the formula C₆H₈N₂O₂. The IUPAC name of this chemical is 2-imidazol-1-ylpropanoic acid. With the CAS registry number 753489-91-7, it is also named as 2-(1H-imidazol-1-yl)propanoic acid. The product's category is Aminetertiary; Imidazol & Benzimidazole.

Physical properties about 1H-Imidazole-1-aceticacid, α-methyl- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 55.12 Å²; (9)Index of Refraction: 1.573; (10)Molar Refractivity: 36.17 cm³; (11)Molar Volume: 109.6 cm³; (12)Polarizability: 14.33×10^-24cm³; (13)Surface Tension: 48.2 dyne/cm; (14)Density: 1.27 g/cm³; (15)Flash Point: 170.4 °C; (16)Enthalpy of Vaporization: 63.7 kJ/mol; (17)Boiling Point: 358.2 °C at 760 mmHg; (18)Vapour Pressure: 9.38E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(C)n1ccnc1
(2)InChI: InChI=1/C6H8N2O2/c1-5(6(9)10)8-3-2-7-4-8/h2-5H,1H3,(H,9,10)
(3)InChIKey: SFWQHFXRVMKCLS-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H8N2O2/c1-5(6(9)10)8-3-2-7-4-8/h2-5H,1H3,(H,9,10)
(5)Std. InChIKey: SFWQHFXRVMKCLS-UHFFFAOYSA-N

Product Name

1H-Imidazole-1-aceticacid,alpha-methyl-(9CI)

1H-Imidazole-1-aceticacid, α-methyl- Specification

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