3-(Imidazol-4-yl)propionic acid supplier

Name
3-(IMIDAZOL-4-YL)PROPIONIC ACID
EINECS 214-045-0
CAS No. 1074-59-5
Article Data26
CAS DataBase
Density 1.335 g/cm³
Solubility
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
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Molecular Structure
Hazard Symbols
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;
PSA 65.98000
LogP 0.42690

3-(Imidazol-4-yl)propionic acid Specification

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

Product Name

3-(IMIDAZOL-4-YL)PROPIONIC ACID

3-(Imidazol-4-yl)propionic acid Specification

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