| Identification | |
| Name: | 4-Quinolinamine,3-bromo- |
| Synonyms: | Quinoline,4-amino-3-bromo- (5CI);4-Amino-3-bromoquinoline;3-Bromo-4-quinolinamine;3-Bromoquinolin-4-amine;4-quinolinamine, 3-bromo-; |
| CAS: | 36825-36-2 |
| Molecular Formula: | C9H7BrN2 |
| Molecular Weight: | 223.07 |
| InChI: | InChI=1/C9H7BrN2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,(H2,11,12) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.649g/cm3 |
| Refractive index: | 1.732 |
| Specification: |
The 4-Amino-3-bromoquinoline, with the CAS registry number 36825-36-2, has the systematic name of 3-bromoquinolin-4-amine. And the molecular formula of the chemical is C9H7BrN2. The characteristics of this chemical are as followings: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 11.02; (6)ACD/BCF (pH 7.4): 110.21; (7)ACD/KOC (pH 5.5): 97.19; (8)ACD/KOC (pH 7.4): 972.37; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.732; (14)Molar Refractivity: 54.11 cm3; (15)Molar Volume: 135.2 cm3; (16)Polarizability: 21.45×10-24cm3; (17)Surface Tension: 63.3 dyne/cm; (18)Density: 1.649 g/cm3; (19)Flash Point: 163.5 °C; (20)Enthalpy of Vaporization: 59.1 kJ/mol; (21)Boiling Point: 346.8 °C at 760 mmHg; (22)Vapour Pressure: 5.61E-05 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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