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CAS No.: | 791626-58-9 |
---|---|
Name: | 6-BROMO-2-QUINAZOLINAMINE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C9H7BrN2 |
Molecular Weight: | 223.072 |
Synonyms: | 6-Bromo-2-aminoquinoline; |
Density: | 1.649 g/cm3 |
Melting Point: | 141-146 °C |
Boiling Point: | 362.4 °C at 760 mmHg |
Flash Point: | 173 °C |
PSA: | 38.91000 |
LogP: | 3.16070 |
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The 2-Quinolinamine,6-bromo- is an organic compound with the formula C9H7BrN2. The IUPAC name of this chemical is 6-bromoquinolin-2-amine. With the CAS registry number 791626-58-9, it is also named as 2-Amino-6-bromoquinoline.
Physical properties about 2-Quinolinamine,6-bromo- are: (1)ACD/LogP: 2.48; (2)ACD/LogD (pH 5.5): 1.99; (3)ACD/LogD (pH 7.4): 2.47; (4)ACD/BCF (pH 5.5): 14.57; (5)ACD/BCF (pH 7.4): 43.92; (6)ACD/KOC (pH 5.5): 171.79; (7)ACD/KOC (pH 7.4): 517.84; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)Polar Surface Area: 16.13 Å2; (11)Index of Refraction: 1.732; (12)Molar Refractivity: 54.11 cm3; (13)Molar Volume: 135.2 cm3; (14)Polarizability: 21.45×10-24cm3; (15)Surface Tension: 63.3 dyne/cm; (16)Density: 1.649 g/cm3; (17)Flash Point: 173 °C; (18)Enthalpy of Vaporization: 60.84 kJ/mol; (19)Boiling Point: 362.4 °C at 760 mmHg; (20)Vapour Pressure: 1.93E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2nc(ccc2c1)N
(2)InChI: InChI=1/C9H7BrN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12)
(3)InChIKey: GSKICCPQEZRQEC-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H7BrN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12)
(5)Std. InChIKey: GSKICCPQEZRQEC-UHFFFAOYSA-N