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| CAS No.: | 13130-79-5 |
|---|---|
| Name: | 1-Bromoisoquinolin-3-amine |
| Article Data: | 4 |
| Molecular Structure: | |
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|
|
| Formula: | C9H7BrN2 |
| Molecular Weight: | 223.072 |
| Synonyms: | Isoquinoline,3-amino-1-bromo- (7CI,8CI);(1-Bromoisoquinolin-3-yl)amine;1-Bromo-3-isoquinolinamine;3-Amino-1-bromoisoquinoline;NSC 152177; |
| Density: | 1.649 g/cm3 |
| Melting Point: | 144 °C |
| Boiling Point: | 387.8 °C at 760 mmHg |
| Flash Point: | 188.3 °C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 38.91000 |
| LogP: | 3.16070 |
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- Total:33 Page 1 of 1 1
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Specification
The cas register number of 1-Bromoisoquinolin-3-amine is 13130-79-5. It also can be called as 3-Amino-1-bromoisoquinoline and the IUPAC Name about this chemical is 1-bromoisoquinolin-3-amine.
Physical properties about 1-Bromoisoquinolin-3-amine are: (1)ACD/LogP: 3.05; (2)ACD/LogD (pH 5.5): 3.04; (3)ACD/LogD (pH 7.4): 3.04; (4)ACD/BCF (pH 5.5): 121.29; (5)ACD/BCF (pH 7.4): 121.31; (6)ACD/KOC (pH 5.5): 1079.41; (7)ACD/KOC (pH 7.4): 1079.61; (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: 63.69 kJ/mol; (18)Vapour Pressure: 3.21E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=C(N=C2Br)N
(2)InChI: InChI=1S/C9H7BrN2/c10-9-7-4-2-1-3-6(7)5-8(11)12-9/h1-5H,(H2,11,12)
(3)InChIKey: PSQUIUNIVDKHJK-UHFFFAOYSA-N