1-(5-Isoquinolinesulfonyl)piperazine Hydrochloride supplier

Name
1-(5-Isoquinolinesulfonyl)piperazine Hydrochloride
EINECS
CAS No. 141543-63-7
Article Data1
CAS DataBase
Density
Solubility
Melting Point 252-254°C
Formula C₁₃H₁₆ClN₃O₂S
Boiling Point 497.4 °C at 760 mmHg
Molecular Weight 313.808
Flash Point 254.6 °C
Transport Information
Appearance Pale Yellow Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(5-Isoquinolinylsulfonyl)piperazine Monohydrochloride;HA-100 Hydrochloride;
PSA 70.68000
LogP 2.97820

1-(5-Isoquinolinesulfonyl)piperazine Hydrochloride Specification

The CAS registry number of 1-(5-Isoquinolinesulfonyl)piperazine Hydrochloride is 141543-63-7. The IUPAC name is 5-(piperazin-1-ylsulfonyl)isoquinoline hydrochloride. In addition, the molecular formula is C₁₃H₁₆ClN₃O₂S and the molecular weight is 313.803.

Physical properties about 1-(5-Isoquinolinesulfonyl)piperazine Hydrochloride are: (1)ACD/LogP: 0.85; (2)ACD/LogD (pH 7.4): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 2; (5)ACD/KOC (pH 5.5): 14; (6)ACD/KOC (pH 7.4): 66; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 61.89 Å²; (11)Flash Point: 254.6 °C; (12) Enthalpy of Vaporization: 76.53 kJ/mol; (13)Boiling Point: 497.4 °C at 760 mmHg; (14)Vapour Pressure: 4.97E-10 mmHg at 25°C.

Uses of 1-(5-Isoquinolinesulfonyl)piperazine Hydrochloride: it can react with bromoethane to get C₁₅H₁₉N₃O₂S*2ClH. This reaction will need reagent K₂CO₃ and solvent ethanol. The reaction time is 6 hours by heating. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c2c1ccncc1ccc2)N3CCNCC3.Cl
(2)InChI: InChI=1/C13H15N3O2S.ClH/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13;/h1-5,10,14H,6-9H2;1H
(3)InChIKey: MBZNIYPWRIDBOD-UHFFFAOYAV

Product Name

1-(5-Isoquinolinesulfonyl)piperazine Hydrochloride

1-(5-Isoquinolinesulfonyl)piperazine Hydrochloride Specification

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