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

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

(E)-but-2-enedioic acid;bis(4-[2-[methyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol)

Also Known As: Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1)|Phenethylamine, 3,4-dihydroxy-N-methyl-N-phenethyl-, fumarate (2:1)|(E)-but-2-enedioic acid; 4-[2-[methyl(phenethyl)amino]ethyl]benzene-1,2-diol|1,2-Benzenediol, 4-[2-[methyl(2-phenylethyl)amino]ethyl]-, (E)-2-butenedioate (2:1) (salt)

CAS: 70044-85-8
Molecular Formula C38H46N2O8
Molecular Weight 658.32544 g/mol
LogP 5.3414
Topological Polar Surface Area 162.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
Rotatable Bonds 14
Exact Mass 658.32544
Monoisotopic Mass 658.32544
Heavy Atoms 48
Complexity 1444.981

Chemical Identifiers

CAS Number 70044-85-8
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

Product Overview

Pyrocatechol, 4-(2-(N-methylphenethylamino)ethyl)-, fumarate (2:1) (CAS 70044-85-8), with molecular formula C38H46N2O8 and molecular weight 658.32544 g/mol. IUPAC: (E)-but-2-enedioic acid;bis(4-[2-[methyl(2-phenylethyl)amino]ethyl]benzene-1,2-diol).

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