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

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

bis([2-acetyloxy-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenyl] acetate);(E)-but-2-enedioic acid

Also Known As: Phenethylamine, 3,4-diacetoxy-N-(2-phenethyl)-N-propyl-, fumarate (2:1)|Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1)|[2-acetyloxy-4-[2-[phenethyl(propyl)amino]ethyl]phenyl] acetate; (E)-but-2-enedioic acid|1,2-Benzenediol, 4-[2-[(2-phenylethyl)propylamino]ethyl]-, diacetate (ester), (E)-2-butenedioate (2:1) (salt)

CAS: 70044-95-0
Molecular Formula C50H62N2O12
Molecular Weight 882.4303 g/mol
LogP 7.7806
Topological Polar Surface Area 186.28 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 12
Rotatable Bonds 22
Exact Mass 882.4303
Monoisotopic Mass 882.4303
Heavy Atoms 64
Complexity 1955.4535

Chemical Identifiers

CAS Number 70044-95-0
SMILES CCCN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)OC(=O)C)OC(=O)C.CCCN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)OC(=O)C)OC(=O)C.C(=C/C(=O)O)\C(=O)O

Product Overview

Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, diacetate, fumarate (2:1) (CAS 70044-95-0), with molecular formula C50H62N2O12 and molecular weight 882.4303 g/mol. IUPAC: bis([2-acetyloxy-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenyl] acetate);(E)-but-2-enedioic acid.

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