(alpha-Methylphenethyl)(1-Methyl-2-Phenoxyethyl)Ammonium Hydrogen Fumarate
[CAS# 1590-35-8]

Identification

• Name: (alpha-Methylphenethyl)(1-Methyl-2-Phenoxyethyl)Ammonium Hydrogen Fumarate
• Synonyms: But-2-Enedioic Acid; N-[1-Methyl-2-(Phenoxy)Ethyl]-1-Phenyl-Propan-2-Amine; But-2-Enedioic Acid; N-[1-Methyl-2-(Phenoxy)Ethyl]-1-Phenylpropan-2-Amine; But-2-Enedioic Acid; [1-Methyl-2-(Phenoxy)Ethyl]-(1-Methyl-2-Phenyl-Ethyl)Amine
• Molecular Formula: C₂₂H₂₇NO₅
• Molecular Weight: 385.46
• CAS Registry Number: 1590-35-8
• EINECS: 216-462-3
• SMILES: C2=C(CC(NC(COC1=CC=CC=C1)C)C)C=CC=C2.O=C(O)\C=C\C(O)=O
• InChI: 1S/C18H23NO.C4H4O4/c1-15(13-17-9-5-3-6-10-17)19-16(2)14-20-18-11-7-4-8-12-18;5-3(6)1-2-4(7)8/h3-12,15-16,19H,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: PVNHTDOWUIYZFC-WLHGVMLRSA-N

Properties

• Boiling point: 396.9°C at 760 mmHg (Cal.)
• Flash point: 169.7°C (Cal.)