alpha-((Methyl(1-methylethyl)amino)methyl)benzenemethanol (E)-2-butenedioate (2:1)

Base Information

• Chemical Name: alpha-((Methyl(1-methylethyl)amino)methyl)benzenemethanol (E)-2-butenedioate (2:1)
• CAS No.: 80222-45-3
• Molecular Formula: C28H42N2O6
• Molecular Weight: 502.6429

Synonyms:CRL 40676;N-Methyl-N-isopropyl-2-amino-1-phenyl-1-ethanol fumarate [French];alpha-((Methyl(1-methylethyl)amino)methyl)benzenemethanol (E)-2-butenedioate (2:1);Benzenemethanol, alpha-((methyl(1-methylethyl)amino)methyl)-, (E)-2-butenedioate (2:1);LS-30795;N-Methyl-N-isopropyl-2-amino-1-phenyl-1-ethanol fumarate;80222-45-3

Chemical Property of alpha-((Methyl(1-methylethyl)amino)methyl)benzenemethanol (E)-2-butenedioate (2:1)

Chemical Property:

• Vapor Pressure: 0.0281mmHg at 25°C
• Boiling Point: 245.8°Cat760mmHg
• Flash Point: 71.6°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 502.30428706
• Heavy Atom Count: 36
• Complexity: 260

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Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)N(C)COCC1=CC=CC=C1.CC(C)N(C)COCC1=CC=CC=C1.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC(C)N(C)COCC1=CC=CC=C1.CC(C)N(C)COCC1=CC=CC=C1.C(=C\C(=O)O)\C(=O)O

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