1-Amino-4-bromoisoquinoline supplier

Name
4-bromoisoquinolin-1-amine
EINECS
CAS No. 55270-27-4
Article Data4
CAS DataBase
Density 1.649 g/cm³
Solubility
Melting Point 152-153 °C
Formula C₉H₇BrN₂
Boiling Point 343.9 °C at 760 mmHg
Molecular Weight 223.0693
Flash Point 161.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromoisoquinolin-1-ylamine;
PSA 38.91000
LogP 3.16070

1-Amino-4-bromoisoquinoline Specification

The 1-Isoquinolinamine,4-bromo-, with the CAS registry number 55270-27-4, is also known as 4-Bromoisoquinolin-1-ylamine. This chemical's molecular formula is C₉H₇BrN₂ and molecular weight is 223.0693. What's more, its systematic name is called 4-Bromoisoquinolin-1-amine.

Physical properties about 1-Isoquinolinamine,4-bromo- are: (1)ACD/LogP: 3.22; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 89.13; (6)ACD/BCF (pH 7.4): 161.64; (7)ACD/KOC (pH 5.5): 728.93; (8)ACD/KOC (pH 7.4): 1321.92; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 16.13 Å²; (13)Index of Refraction: 1.732; (14)Molar Refractivity: 54.11 cm³; (15)Molar Volume: 135.2 cm³; (16)Polarizability: 21.45×10^-24 cm³; (17)Surface Tension: 63.3 dyne/cm; (18)Density: 1.649 g/cm³; (19)Flash Point: 161.8 °C; (20)Enthalpy of Vaporization: 58.78 kJ/mol; (21)Boiling Point: 343.9 °C at 760 mmHg; (22)Vapour Pressure: 6.83E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2c1ccccc1c(nc2)N
(2) InChI: InChI=1/C9H7BrN2/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H,(H2,11,12)
(3) InChIKey: YWOLBIUYICZCLK-UHFFFAOYAT

Product Name

4-bromoisoquinolin-1-amine

1-Amino-4-bromoisoquinoline Specification

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