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| CAS No.: | 891785-28-7 |
|---|---|
| Name: | 6-Bromoisoquinolin-3-amine |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C9H7BrN2 |
| Molecular Weight: | 223.072 |
| Synonyms: | 6-Bromoisoquinolin-3-amine; |
| Density: | 1.649 g/cm3 |
| Boiling Point: | 387.6 °C at 760 mmHg |
| Flash Point: | 188.2 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 38.91000 |
| LogP: | 3.16070 |
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Specification
The 6-Bromoisoquinolin-3-amine, with CAS registry number 891785-28-7, belongs to the following product categories: (1)Chiral Chemicals; (2)Building Blocks; (3)Isoquinoline. It has the systematic name of 6-bromoisoquinolin-3-amine. And the chemical formula of this chemical is C9H7BrN2.
Physical properties of 6-Bromoisoquinolin-3-amine: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.62; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 38.91 Å2; (9)Index of Refraction: 1.732; (10)Molar Refractivity: 54.11 cm3; (11)Molar Volume: 135.2 cm3; (12)Polarizability: 21.45×10-24cm3; (13)Surface Tension: 63.3 dyne/cm; (14)Enthalpy of Vaporization: 63.67 kJ/mol; (15)Vapour Pressure: 3.26E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2cnc(cc2cc1Br)N
(2)InChI: InChI=1/C9H7BrN2/c10-8-2-1-6-5-12-9(11)4-7(6)3-8/h1-5H,(H2,11,12)
(3)InChIKey: PQKLBIXLXFRNKT-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H7BrN2/c10-8-2-1-6-5-12-9(11)4-7(6)3-8/h1-5H,(H2,11,12)
(5)Std. InChIKey: PQKLBIXLXFRNKT-UHFFFAOYSA-N