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| CAS No.: | 7101-96-4 |
|---|---|
| Name: | 3-Bromoquinolin-6-amine |
| Molecular Structure: | |
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| Formula: | C9H7BrN2 |
| Molecular Weight: | 223.072 |
| Synonyms: | 6-Amino-3-bromoquinoline; |
| Density: | 1.649 g/cm3 |
| Melting Point: | 154-155 °C |
| Boiling Point: | 359 °C at 760 mmHg |
| Flash Point: | 170.9 °C |
| PSA: | 38.91000 |
| LogP: | 3.16070 |
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Specification
The CAS register number of 3-Bromoquinolin-6-amine is 7101-96-4. It also can be called as 6-Amino-3-bromoquinoline and the systematic name about this chemical is 3-bromoquinolin-6-amine. The molecular formula about this chemical is C9H7BrN2 and the molecular weight is 223.07.
Physical properties about 3-Bromoquinolin-6-amine are: (1)ACD/LogP: 2.20; (2)ACD/LogD (pH 5.5): 2.2; (3)ACD/LogD (pH 7.4): 2.2; (4)ACD/BCF (pH 5.5): 27.62; (5)ACD/BCF (pH 7.4): 27.78; (6)ACD/KOC (pH 5.5): 373.67; (7)ACD/KOC (pH 7.4): 375.87; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 16.13Å2; (12)Index of Refraction: 1.732; (13)Molar Refractivity: 54.11 cm3; (14)Molar Volume: 135.2 cm3; (15)Polarizability: 21.45x10-24cm3; (16)Surface Tension: 63.3 dyne/cm; (17)Enthalpy of Vaporization: 60.46 kJ/mol; (18)Boiling Point: 359 °C at 760 mmHg; (19)Vapour Pressure: 2.44E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2cc(ccc2nc1)N
(2)InChI: InChI=1/C9H7BrN2/c10-7-3-6-4-8(11)1-2-9(6)12-5-7/h1-5H,11H2
(3)InChIKey: XOXNGIYWQRRRPW-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H7BrN2/c10-7-3-6-4-8(11)1-2-9(6)12-5-7/h1-5H,11H2
(5)Std. InChIKey: XOXNGIYWQRRRPW-UHFFFAOYSA-N