(alpha-Methylphenethyl)(1-methyl-2-phenoxyethyl)ammonium hydrogen fumarate

Base Information

• Chemical Name: (alpha-Methylphenethyl)(1-methyl-2-phenoxyethyl)ammonium hydrogen fumarate
• CAS No.: 1590-35-8
• Molecular Formula: C22H27NO5
• Molecular Weight: 385.45348
• European Community (EC) Number: 216-462-3
• Mol file: 1590-35-8.mol

Synonyms:EINECS 216-462-3;(alpha-Methylphenethyl)(1-methyl-2-phenoxyethyl)ammonium hydrogen fumarate;1590-35-8;C18H23NO.C4H4O4;SCHEMBL1697215

Chemical Property of (alpha-Methylphenethyl)(1-methyl-2-phenoxyethyl)ammonium hydrogen fumarate

Chemical Property:

• PSA: 95.86000
• LogP: 3.77740
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 385.18892296
• Heavy Atom Count: 28
• Complexity: 363

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC=CC=C1)NC(C)COC2=CC=CC=C2.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC(CC1=CC=CC=C1)NC(C)COC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O