5-Amino-3-chloroisoquinoline supplier

Name
5-Isoquinolinamine,3-chloro-(9CI)
EINECS
CAS No. 58142-49-7
Article Data12
CAS DataBase
Density 1.363 g/cm³
Solubility
Melting Point
Formula C₉H₇ClN₂
Boiling Point 372.583 °C at 760 mmHg
Molecular Weight 178.621
Flash Point 179.132 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Chloroisoquinolin-5-amine;
PSA 38.91000
LogP 3.05160

5-Amino-3-chloroisoquinoline Specification

The 5-Amino-3-chloroisoquinoline, with the CAS registry number 58142-49-7, is also known as 5-Isoquinolinamine,3-chloro-(9CI). It belongs to the product category of Isoquinoline. This chemical's molecular formula is C₉H₇ClN₂ and molecular weight is 178.62. Its systematic name is called 3-chloroisoquinolin-5-amine.

Physical properties of 5-Amino-3-chloroisoquinoline: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 128; (8)ACD/KOC (pH 7.4): 129; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.712; (13)Molar Refractivity: 51.318 cm³; (14)Molar Volume: 131.004 cm³; (15)Surface Tension: 61.564 dyne/cm; (16)Density: 1.363 g/cm³; (17)Flash Point: 179.132 °C; (18)Enthalpy of Vaporization: 61.974 kJ/mol; (19)Boiling Point: 372.583 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc2cccc1cnc(Cl)cc12
(2)InChI: InChI=1/C9H7ClN2/c10-9-4-7-6(5-12-9)2-1-3-8(7)11/h1-5H,11H2
(3)InChIKey: ZITUQCQEDBPHMJ-UHFFFAOYAG

Product Name

5-Isoquinolinamine,3-chloro-(9CI)

5-Amino-3-chloroisoquinoline Specification

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