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Name |
6-Bromoisoquinolin-3-amine |
EINECS | N/A |
CAS No. | 891785-28-7 | Density | 1.649 g/cm3 |
PSA | 38.91000 | LogP | 3.16070 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H7BrN2 | Boiling Point | 387.6 °C at 760 mmHg |
Molecular Weight | 223.072 | Flash Point | 188.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
6-Bromoisoquinolin-3-amine; |
Article Data | 8 |
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