5-Amino-1-benzyl-1H-imidazole-4-carboxylic acid supplier

Name
AKOS BB-9603
EINECS
CAS No. 228262-99-5
Article Data1
CAS DataBase
Density 1.362 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁N₃O₂
Boiling Point 499.7 °C at 760 mmHg
Molecular Weight 217.227
Flash Point 256.009 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms AKOS BB-9603;
PSA 81.14000
LogP 1.79300

5-Amino-1-benzyl-1H-imidazole-4-carboxylic acid Specification

The 5-Amino-1-benzyl-1H-imidazole-4-carboxylic acid, with the CAS registry number 228262-99-5, is also known as AKOS BB-9603. This chemical's molecular formula is C₁₁H₁₁N₃O₂ and molecular weight is 217.09. What's more, its systematic name is 5-Amino-1-benzyl-1H-imidazole-4-carboxylic acid.

Physical properties about 5-Amino-1-benzyl-1H-imidazole-4-carboxylic acid are: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -3; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 81.14 Å²; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 58.769 cm³; (15)Molar Volume: 159.531 cm³; (16)Polarizability: 23.298×10^-24 cm³; (17)Surface Tension: 58.843 dyne/cm; (18)Density: 1.362 g/cm³; (19)Flash Point: 256.009 °C; (20)Enthalpy of Vaporization: 80.892 kJ/mol; (21)Boiling Point: 499.7 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ncn(c1N)Cc2ccccc2
(2) InChI: InChI=1/C11H11N3O2/c12-10-9(11(15)16)13-7-14(10)6-8-4-2-1-3-5-8/h1-5,7H,6,12H2,(H,15,16)
(3) InChIKey: HBZUWMHXTXOATP-UHFFFAOYAG

Product Name

AKOS BB-9603

5-Amino-1-benzyl-1H-imidazole-4-carboxylic acid Specification

Related Products

Hot Products