N-(2-Aminoethyl)-N-[2-[[(E)-3-(4-Chlorophenyl)Prop-2-Enyl]Amino]Ethyl]Isoquinoline-5-Sulfonamide
[CAS# 143306-00-7]

Identification

• Name: N-(2-Aminoethyl)-N-[2-[[(E)-3-(4-Chlorophenyl)Prop-2-Enyl]Amino]Ethyl]Isoquinoline-5-Sulfonamide
• Synonyms: N-(2-Aminoethyl)-N-[2-[[(E)-3-(4-Chlorophenyl)Prop-2-Enyl]Amino]Ethyl]-5-Isoquinolinesulfonamide; 5-Isoquinolinesulfonamide, N-(2-Aminoethyl)-N-(2-((3-(4-Chlorophenyl)-2-Propenyl)Amino)Ethyl)-; N-(2-Aminoethyl)-N-(2-(4-Chlorocinnamylamino)Ethyl)-5-Isoquinolinesulfonamide
• Molecular Formula: C₂₂H₂₅ClN₄O₂S
• Molecular Weight: 444.98
• CAS Registry Number: 143306-00-7
• SMILES: C1=CC(=CC=C1/C=C/CNCCN(CCN)[S](=O)(=O)C3=C2C=CN=CC2=CC=C3)Cl
• InChI: 1S/C22H25ClN4O2S/c23-20-8-6-18(7-9-20)3-2-12-25-14-16-27(15-11-24)30(28,29)22-5-1-4-19-17-26-13-10-21(19)22/h1-10,13,17,25H,11-12,14-16,24H2/b3-2+
• InChIKey: DSFZLDPXONYEAS-NSCUHMNNSA-N

Properties

• Density: 1.302g/cm³ (Cal.)
• Boiling point: 663.894°C at 760 mmHg (Cal.)
• Flash point: 355.31°C (Cal.)