3-Isoquinolinemethanamine, 3,4-dihydro-N,N-diethyl-7-methyl-1-phenyl-, (Z)-2-butenedioate(1:2)

Base Information

• Chemical Name: 3-Isoquinolinemethanamine, 3,4-dihydro-N,N-diethyl-7-methyl-1-phenyl-, (Z)-2-butenedioate(1:2)
• CAS No.: 83658-67-7
• Molecular Formula: C29H34N2O8
• Molecular Weight: 538.594
• Mol file: 83658-67-7.mol

Synonyms:3-Isoquinolinemethanamine, 3,4-dihydro-N,N-diethyl-7-methyl-1-phenyl-, (Z)-2-butenedioate(1:2);83658-67-7;C21-H26-N2.2C4-H4-O4;LS-85688

Chemical Property of 3-Isoquinolinemethanamine, 3,4-dihydro-N,N-diethyl-7-methyl-1-phenyl-, (Z)-2-butenedioate(1:2)

Chemical Property:

• Vapor Pressure: 2.49E-07mmHg at 25°C
• Boiling Point: 422°C at 760 mmHg
• Flash Point: 209°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 538.23151605
• Heavy Atom Count: 39
• Complexity: 512

Purity/Quality:

3-ISOQUINOLINEMETHANAMINE, 3,4-DIHYDRO-N,N-DIETHYL-7-METHYL-1-PHENYL-, (Z)-2-BUTENEDIOATE(1:2) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)CC1CC2=C(C=C(C=C2)C)C(=N1)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCN(CC1N=C(C2=C(C1)C=CC(=C2)C)C3=CC=CC=C3)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

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