5-[3-(Propan-2-yl)piperazine-1-sulfonyl]isoquinoline--hydrogen chloride (1/2)

Base Information

• Chemical Name: 5-[3-(Propan-2-yl)piperazine-1-sulfonyl]isoquinoline--hydrogen chloride (1/2)
• CAS No.: 936233-02-2
• Molecular Formula: C16H23Cl2N3O2S
• Molecular Weight: 392.34372
• DSSTox Substance ID: DTXSID20697734
• Mol file: 936233-02-2.mol

Synonyms:DTXSID20697734;936233-02-2;5-[3-(Propan-2-yl)piperazine-1-sulfonyl]isoquinoline--hydrogen chloride (1/2)

Chemical Property of 5-[3-(Propan-2-yl)piperazine-1-sulfonyl]isoquinoline--hydrogen chloride (1/2)

Chemical Property:

• PSA: 70.68000
• LogP: 4.80480
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 391.0888035
• Heavy Atom Count: 24
• Complexity: 474

Purity/Quality:

97% ^*data from raw suppliers

(S)-5-(3-ISOPROPYL-PIPERAZINE-1-SULFONYL)ISOQUINOLINE DIHYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl

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