CAS No.608515-70-4,5-Isoquinolinamine,7-chloro-(9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	608515-70-4
Name:	5-Isoquinolinamine,7-chloro-(9CI)

Formula:	C₉H₇ClN₂
Molecular Weight:	178.621
Synonyms:	5-Isoquinolinamine, 7-chloro;7-Chloro-5-isoquinolinamine;
Density:	1.363 g/cm³
Boiling Point:	375.6 °C at 760 mmHg
Flash Point:	181 °C
PSA:	38.91000
LogP:	3.05160

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Specification

The 5-Isoquinolinamine,7-chloro-(9CI), with CAS registry number 608515-70-4, belongs to the following product category: Isoquinoline. It has the systematic name of 7-Chloroisoquinolin-5-amine. Besides this, it is also called 5-Isoquinolinamine, 7-chloro. And the chemical formula of this chemical is C₉H₇ClN₂.

Physical properties of 5-Isoquinolinamine,7-chloro-(9CI): (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 6.95; (6)ACD/BCF (pH 7.4): 8.88; (7)ACD/KOC (pH 5.5): 129.93; (8)ACD/KOC (pH 7.4): 165.96; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.91 Å²; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 51.31 cm³; (15)Molar Volume: 131 cm³; (16)Polarizability: 20.34×10^-24cm³; (17)Surface Tension: 61.5 dyne/cm; (18)Density: 1.363 g/cm³; (19)Flash Point: 181 °C; (20)Enthalpy of Vaporization: 62.31 kJ/mol; (21)Boiling Point: 375.6 °C at 760 mmHg; (22)Vapour Pressure: 7.69E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cncc2c1c(cc(c2)Cl)N
(2)InChI: InChI=1/C9H7ClN2/c10-7-3-6-5-12-2-1-8(6)9(11)4-7/h1-5H,11H2
(3)InChIKey: YOMNAMATBRCQNB-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H7ClN2/c10-7-3-6-5-12-2-1-8(6)9(11)4-7/h1-5H,11H2
(5)Std. InChIKey: YOMNAMATBRCQNB-UHFFFAOYSA-N