7-Bromoisoquinolin-1-ylamine supplier

Name
7-BROMO-ISOQUINOLIN-1-YLAMINE
EINECS
CAS No. 215453-53-5
Article Data5
CAS DataBase
Density 1.649 g/cm³
Solubility
Melting Point
Formula C₉H₇BrN₂
Boiling Point 380.697 °C at 760 mmHg
Molecular Weight 223.072
Flash Point 184.039 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Amino-7-bromoisoquinoline;
PSA 38.91000
LogP 3.16070

7-Bromoisoquinolin-1-ylamine Specification

The 7-Bromoisoquinolin-1-ylamine, with CAS registry number 215453-53-5, has the systematic name of 7-bromoisoquinolin-1-amine. Besides this, it is also called 7-Bromo-isoquinolin-1-ylamine. And the chemical formula of this chemical is C₉H₇BrN₂.

Physical properties of 7-Bromoisoquinolin-1-ylamine: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 47; (7)ACD/KOC (pH 5.5): 36; (8)ACD/KOC (pH 7.4): 520; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.91 Å²; (13)Index of Refraction: 1.732; (14)Molar Refractivity: 54.113 cm³; (15)Molar Volume: 135.238 cm³; (16)Polarizability: 21.452×10^-24cm³; (17)Surface Tension: 63.382 dyne/cm; (18)Density: 1.649 g/cm³; (19)Flash Point: 184.039 °C; (20)Enthalpy of Vaporization: 62.888 kJ/mol; (21)Boiling Point: 380.697 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2ccnc(N)c2c1
(2)InChI: InChI=1/C9H7BrN2/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H,(H2,11,12)
(3)InChIKey: PLOCDXILPIGHEZ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H7BrN2/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H,(H2,11,12)
(5)Std. InChIKey: PLOCDXILPIGHEZ-UHFFFAOYSA-N

Product Name

7-BROMO-ISOQUINOLIN-1-YLAMINE

7-Bromoisoquinolin-1-ylamine Specification

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