Name: H-7 DIHYDROCHLORIDE
SKU: 108930-17-2

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Basic Information

Molecular Structure:
CAS No.:	108930-17-2
Name:	H-7 DIHYDROCHLORIDE

Formula:	C₁₄H₁₇N₃O₂S.2ClH
Molecular Weight:	364.296
Synonyms:	Piperazine,1-(5-isoquinolinylsulfonyl)-2-methyl-, dihydrochloride (9CI);5-[(2-Methylpiperazin-1-yl)sulfonyl]isoquinoline dihydrochloride;
Melting Point:	215-225 °C
Boiling Point:	495.3 °C at 760 mmHg
Flash Point:	253.3 °C
Appearance:	White Crystalline Solid
Safety:	24/25
PSA:	70.68000
LogP:	4.16870

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Specification

The CAS registry number of Isoquinoline,5-[(2-methyl-1-piperazinyl)sulfonyl]-, hydrochloride (1:2) is 108930-17-2. The IUPAC name is 5-[(2-methylpiperazin-1-yl)sulfonyl]isoquinoline dihydrochloride. In addition, the molecular formula is C₁₄H₁₇N₃O₂S.2ClH and the molecular weight is 364.29. What's more, it is a kind of white crystalline solid and belongs to the class of Protein Kinase Inhibitors and Activators. It inhibits superoxide release from human neutrophils (PMN) stimulated with phorbol myristate acetate or synthetic diacylglycerol.

Physical properties about Isoquinoline,5-[(2-methyl-1-piperazinyl)sulfonyl]-, hydrochloride (1:2) are: (1)ACD/LogP: 1.34; (2)ACD/LogD (pH 5.5): 0.63; (3)ACD/LogD (pH 7.4): 1.32; (4)ACD/BCF (pH 5.5): 1.21; (5)ACD/BCF (pH 7.4): 5.83; (6)ACD/KOC (pH 5.5): 25.11; (7)ACD/KOC (pH 7.4): 121.28; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 61.89 Å²; (12)Flash Point: 253.3 °C; (13)Enthalpy of Vaporization: 76.28 kJ/mol; (14)Boiling Point: 495.3 °C at 760 mmHg; (15)Vapour Pressure: 6E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c2c1ccncc1ccc2)N3C(C)CNCC3.Cl.Cl
(2)InChI: InChI=1/C14H17N3O2S.2ClH/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14;;/h2-6,10-11,16H,7-9H2,1H3;2*1H
(3)InChIKey: OARGPFMFRLLKPF-UHFFFAOYAI