Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Benzimidazol-2-amine,6-bromo- |
EINECS | N/A |
CAS No. | 791595-74-9 | Density | 1.867 g/cm3 |
PSA | 54.70000 | LogP | 2.48880 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H6BrN3 | Boiling Point | 425.2 °C at 760 mmHg |
Molecular Weight | 212.049 | Flash Point | 211 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Benzimidazol-2-amine,5-bromo- (9CI);2-Amino-5-bromobenzimidazole;6-Bromo-1H-benzimidazol-2-amine; |
Article Data | 6 |
The 1H-Benzimidazol-2-amine,6-bromo-, with the CAS registry number 791595-74-9, is also known as 2-Amino-5-bromobenzimidazole. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C7H6BrN3 and molecular weight is 212.05. What's more, its systematic name is 6-bromo-1H-benzimidazol-2-amine.
Physical properties of 1H-Benzimidazol-2-amine,6-bromo- are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 7.81; (7)ACD/KOC (pH 5.5): 14.55; (8)ACD/KOC (pH 7.4): 146.09; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.7 Å2; (13)Index of Refraction: 1.8; (14)Molar Refractivity: 48.54 cm3; (15)Molar Volume: 113.5 cm3; (16)Polarizability: 19.24×10-24cm3; (17)Surface Tension: 81.4 dyne/cm; (18)Density: 1.867 g/cm3; (19)Flash Point: 211 °C; (20)Enthalpy of Vaporization: 67.99 kJ/mol; (21)Boiling Point: 425.2 °C at 760 mmHg; (22)Vapour Pressure: 1.94E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1Br)NC(=N2)N
(2)InChI: InChI=1S/C7H6BrN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
(3)InChIKey: YLKNNXAMJFCCPY-UHFFFAOYSA-N