Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-(Imidazol-4-yl)propionic acid |
EINECS | 214-045-0 |
CAS No. | 1074-59-5 | Density | 1.335 g/cm3 |
PSA | 65.98000 | LogP | 0.42690 |
Solubility | N/A | Melting Point |
206-208 °C |
Formula | C6H8N2O2 | Boiling Point | 427.4 °C at 760 mmHg |
Molecular Weight | 140.142 | Flash Point | 212.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Imidazole-4-propanoicacid (9CI);Imidazole-4(or 5)-propionic acid (6CI,7CI);Imidazole-4-propionicacid (8CI);1H-Imidazole-4-propionic acid;3-(1H-4-Imidazolyl)propanoic acid;3-(1H-Imidazol-4-yl)propionic acid;3-(4-Imidazolyl)propionic acid;3-(Imidazol-4(5)-yl)propionic acid;Dihydrourocanic acid;Dihydrourocanoicacid;Imidazolylpropionic acid;NSC 66737;b-(5-Imidazolyl)propionic acid;b-Imidazolyl-4(5)-propionic acid; |
Article Data | 26 |
This chemical is called 1H-Imidazole-5-propanoicacid, and its systematic name is 3-(1H-imidazol-5-yl)propanoic acid. With the molecular formula of C6H8N2O2, its molecular weight is 140.14. The CAS registry number of the chemical is 1074-59-5.
Other characteristics of 1H-Imidazole-5-propanoicacid can be summarised as followings: (1)ACD/LogP: -0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.88; (4)ACD/LogD (pH 7.4): -3.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 34.52 cm3; (15)Molar Volume: 104.9 cm3; (16)Polarizability: 13.68×10-24cm3; (17)Surface Tension: 66.1 dyne/cm; (18)Density: 1.335 g/cm3; (19)Flash Point: 212.3 °C; (20)Enthalpy of Vaporization: 71.94 kJ/mol; (21)Boiling Point: 427.4 °C at 760 mmHg; (22)Vapour Pressure: 4.57E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CCc1cncn1
2.InChI: InChI=1/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)
3.InChIKey: ZCKYOWGFRHAZIQ-UHFFFAOYAI
4.Std. InChI: InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)
5.Std. InChIKey: ZCKYOWGFRHAZIQ-UHFFFAOYSA-N