Isoquinoline, 3,4-dihydro-7-methyl-3-((4-methyl-1-piperazinyl)methyl)-1-phenyl-, (Z)-2-butenedioate (1:2)

Base Information

• Chemical Name: Isoquinoline, 3,4-dihydro-7-methyl-3-((4-methyl-1-piperazinyl)methyl)-1-phenyl-, (Z)-2-butenedioate (1:2)
• CAS No.: 83658-73-5
• Molecular Formula: C30H35N3O8
• Molecular Weight: 565.6142

Synonyms:83658-73-5;Isoquinoline, 3,4-dihydro-7-methyl-3-((4-methyl-1-piperazinyl)methyl)-1-phenyl-, (Z)-2-butenedioate (1:2);C22H27N3.2C4H4O4;LS-85549;C22-H27-N3.2C4-H4-O4

Chemical Property of Isoquinoline, 3,4-dihydro-7-methyl-3-((4-methyl-1-piperazinyl)methyl)-1-phenyl-, (Z)-2-butenedioate (1:2)

Chemical Property:

• Vapor Pressure: 5.51E-09mmHg at 25°C
• Boiling Point: 469.4°Cat760mmHg
• Flash Point: 237.7°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 565.24241508
• Heavy Atom Count: 41
• Complexity: 579

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(CC(N=C2C3=CC=CC=C3)CN4CCN(CC4)C)C=C1.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC1=CC2=C(C=C1)CC(N=C2C3=CC=CC=C3)CN4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

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