Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1)

Base Information

• Chemical Name: Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1)
• CAS No.: 70044-85-8
• Molecular Formula: C38H46N2O8
• Molecular Weight: 658.7804
• Mol file: 70044-85-8.mol

Synonyms:Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1);Phenethylamine, 3,4-dihydroxy-N-methyl-N-phenethyl-, fumarate (2:1);70044-85-8;C34H42N2O4.C4H4O4;LS-136451;C34-H42-N2-O4.C4-H4-O4;1,2-Benzenediol, 4-[2-[methyl(2-phenylethyl)amino]ethyl]-, (E)-2-butenedioate (2:1) (salt)

Chemical Property of Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1)

Chemical Property:

• Vapor Pressure: 8.29E-09mmHg at 25°C
• Boiling Point: 452.5°Cat760mmHg
• Flash Point: 236.8°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 14
• Exact Mass: 658.32541643
• Heavy Atom Count: 48
• Complexity: 385

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O.CN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O.CN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O.C(=C/C(=O)O)\C(=O)O