4-(2-(N-Propylphenethylamino)ethyl)pyrocatechol t-butyrate fumarate (1:1)

Base Information

• Chemical Name: 4-(2-(N-Propylphenethylamino)ethyl)pyrocatechol t-butyrate fumarate (1:1)
• CAS No.: 70044-97-2
• Molecular Formula: C33H45NO8
• Molecular Weight: 583.7123

Synonyms:4-(2-(N-Propylphenethylamino)ethyl)pyrocatechol t-butyrate fumarate (1:1);Pyrocatechol, 4-(2-(N-propylphenethylamino)ethyl)-, t-butyrate, fumarate (1:1);70044-97-2;C29H41NO4.C4H4O4;C29-H41-N-O4.C4-H4-O4;LS-136466

Chemical Property of 4-(2-(N-Propylphenethylamino)ethyl)pyrocatechol t-butyrate fumarate (1:1)

Chemical Property:

• Vapor Pressure: 4.79E-12mmHg at 25°C
• Boiling Point: 547.6°Cat760mmHg
• Flash Point: 285°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 16
• Exact Mass: 583.31451739
• Heavy Atom Count: 42
• Complexity: 746

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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