4-Isoquinolinamine,3-bromo- supplier

Name
4-Isoquinolinamine,3-bromo-(9CI)
EINECS
CAS No. 40073-37-8
Article Data3
CAS DataBase
Density 1.649 g/cm³
Solubility
Melting Point
Formula C₉H₇BrN₂
Boiling Point 397.8 °C at 760 mmHg
Molecular Weight 223.072
Flash Point 194.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Amino-3-bromoisoquinoline;
PSA 38.91000
LogP 3.16070

4-Isoquinolinamine,3-bromo- Specification

The 4-Isoquinolinamine,3-bromo- is an organic compound with the formula C₉H₇BrN₂. The systematic name of this chemical is 3-bromoisoquinolin-4-amine. With the CAS registry number 40073-37-8, it is also named as 4-Amino-3-bromoisoquinoline. The product's category is Isoquinoline.

Physical properties about 4-Isoquinolinamine,3-bromo- are: (1)ACD/LogP: 2.50; (2)ACD/LogD (pH 5.5): 2.5; (3)ACD/LogD (pH 7.4): 2.5; (4)ACD/BCF (pH 5.5): 46.92; (5)ACD/BCF (pH 7.4): 47.01; (6)ACD/KOC (pH 5.5): 546.71; (7)ACD/KOC (pH 7.4): 547.71; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 16.13 Å²; (12)Index of Refraction: 1.732; (13)Molar Refractivity: 54.11 cm³; (14)Molar Volume: 135.2 cm³; (15)Polarizability: 21.45×10^-24cm³; (16)Surface Tension: 63.3 dyne/cm; (17)Density: 1.649 g/cm³; (18)Flash Point: 194.4 °C; (19)Enthalpy of Vaporization: 64.83 kJ/mol; (20)Boiling Point: 397.8 °C at 760 mmHg; (21)Vapour Pressure: 1.55E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ncc1ccccc1c2N
(2)InChI: InChI=1/C9H7BrN2/c10-9-8(11)7-4-2-1-3-6(7)5-12-9/h1-5H,11H2
(3)InChIKey: DERRKDMURMTHHF-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H7BrN2/c10-9-8(11)7-4-2-1-3-6(7)5-12-9/h1-5H,11H2
(5)Std. InChIKey: DERRKDMURMTHHF-UHFFFAOYSA-N

Product Name

4-Isoquinolinamine,3-bromo-(9CI)

4-Isoquinolinamine,3-bromo- Specification

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