C20H22NO4.CH4O3S

Base Information

• Chemical Name: C20H22NO4.CH4O3S
• CAS No.: 61189-93-3
• Molecular Formula: C21H25NO7S
• Molecular Weight: 435.4907
• DSSTox Substance ID: DTXSID40976694

Synonyms:61189-93-3;C20H22NO4.CH4O3S;C20-H22-N-O4.C-H4-O3-S;Isoquinoline, 4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-, methanesulfonate;DTXSID40976694;Methanesulfonic acid--4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1/1)

Chemical Property of C20H22NO4.CH4O3S

Chemical Property:

• Vapor Pressure: 1.65E-09mmHg at 25°C
• Boiling Point: 496.5°C at 760 mmHg
• Flash Point: 176.4°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 435.13517331
• Heavy Atom Count: 30
• Complexity: 500

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CC2=CN=CC3=CC(=C(C=C32)OC)OC)OC.CS(=O)(=O)O

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