5-Bromoisoquinolin-1-amine supplier

Name
5-Bromoisoquinolin-1-amine
EINECS
CAS No. 852570-80-0
Article Data4
CAS DataBase
Density 1.649 g/cm³
Solubility
Melting Point
Formula C₉H₇BrN₂
Boiling Point 380.7 °C at 760 mmHg
Molecular Weight 223.072
Flash Point 184 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 41
Molecular Structure
Hazard Symbols
Synonyms 1-Amino-5-bromoisoquinoline;
PSA 38.91000
LogP 3.16070

5-Bromoisoquinolin-1-amine Specification

The 5-Bromoisoquinolin-1-amine, with the CAS registry number 852570-80-0, is also known as 1-Amino-5-bromoisoquinoline. It belongs to the product categories of Building Blocks; Isoquinoline. This chemical's molecular formula is C₉H₇BrN₂ and molecular weight is 223.07. What's more, its systematic name is called 5-Bromoisoquinolin-1-amine.

Physical properties about 5-Bromoisoquinolin-1-amine are: (1) ACD/LogP: 2.62; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.59; (4) ACD/LogD (pH 7.4): 2.57; (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) Surface Tension: 63.3 dyne/cm; (13) Density: 1.649 g/cm³; (14)Flash Point: 184 °C; (15) Enthalpy of Vaporization: 62.89 kJ/mol; (16) Boiling Point: 380.7 °C at 760 mmHg; (17) Vapour Pressure: 5.35E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(ccnc2N)c(c1)Br
(2) InChI: InChI=1/C9H7BrN2/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-5H,(H2,11,12)
(3) InChIKey: ATENCABMFYJWGZ-UHFFFAOYAL

Product Name

5-Bromoisoquinolin-1-amine

5-Bromoisoquinolin-1-amine Specification

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