3-(2-Isopropyl-imidazol-1-yl)-propionic acid supplier

Name
3-(2-Isopropyl-imidazol-1-yl)-propionic acid
EINECS
CAS No. 462068-54-8
Density 1.15 g/cm³
Solubility
Melting Point
Formula C₉H₁₄N₂O₂
Boiling Point 367.4 °C at 760 mmHg
Molecular Weight 182.22
Flash Point 176 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols Xi
Synonyms 3-[2-(Propan-2-yl)-1H-imidazol-1-yl]propanoic acid;1H-Imidazole-1-propanoic acid, 2-(1-methylethyl)-;
PSA 55.12000
LogP 1.48120

3-(2-Isopropyl-imidazol-1-yl)-propionic acid Specification

The 3-(2-Isopropyl-imidazol-1-yl)-propionic acid with CAS registry number of 462068-54-8 is also known as 1H-Imidazole-1-propanoic acid, 2-(1-methylethyl)-. The systematic name is 3-[2-(Propan-2-yl)-1H-imidazol-1-yl]propanoic acid. In addition, the formula is C₉H₁₄N₂O₂ and the molecular weight is 182.22. As a chemical, it's irritating to human body.

Physical properties about 3-(2-Isopropyl-imidazol-1-yl)-propionic acid are: (1)ACD/LogP: 0.56; (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: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 44.12Å²; (11)Index of Refraction: 1.546 ; (12)Molar Refractivity: 49.81 cm³; (13)Molar Volume: 157.2 cm³; (14)Polarizability: 19.74×10^-24cm³; (15)Surface Tension: 40.7 dyne/cm; (16)Density: 1.15 g/cm³; (17)Flash Point: 176 °C; (18)Enthalpy of Vaporization: 64.77 kJ/mol; (19)Boiling Point: 367.4 °C at 760 mmHg; (20)Vapour Pressure: 4.8E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(O)CCn1ccnc1C(C)C
2. InChI: InChI=1/C9H14N2O2/c1-7(2)9-10-4-6-11(9)5-3-8(12)13/h4,6-7H,3,5H2,1-2H3,(H,12,13)
3. InChIKey: CCERZQAOAPQXRS-UHFFFAOYAY
4. Std. InChI: InChI=1S/C9H14N2O2/c1-7(2)9-10-4-6-11(9)5-3-8(12)13/h4,6-7H,3,5H2,1-2H3,(H,12,13)
5. Std. InChIKey: CCERZQAOAPQXRS-UHFFFAOYSA-N

Product Name

3-(2-Isopropyl-imidazol-1-yl)-propionic acid

3-(2-Isopropyl-imidazol-1-yl)-propionic acid Specification

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