1-(Heptyloxymethyl)-4-((2-hydroxy-3-(isopropylamino)propoxy)phenyl)propanone maleate (2:1)

Base Information

• Chemical Name: 1-(Heptyloxymethyl)-4-((2-hydroxy-3-(isopropylamino)propoxy)phenyl)propanone maleate (2:1)
• CAS No.: 106909-63-1
• Molecular Formula: C50H82N2O12
• Molecular Weight: 903.1923
• Mol file: 106909-63-1.mol

Synonyms:1-(Heptyloxymethyl)-4-((2-hydroxy-3-(isopropylamino)propoxy)phenyl)propanone maleate (2:1);1-Propanone, 1-(3-((heptyloxy)methyl)-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, (E)-2-butenedioate (2:1) (salt);106909-63-1;C46H78N2O8.C4H4O4;LS-123022;C46-H78-N2-O8.C4-H4-O4

Chemical Property of 1-(Heptyloxymethyl)-4-((2-hydroxy-3-(isopropylamino)propoxy)phenyl)propanone maleate (2:1)

Chemical Property:

• Vapor Pressure: 5.85E-12mmHg at 25°C
• Boiling Point: 527.6°Cat760mmHg
• Flash Point: 272.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 34
• Exact Mass: 902.58677606
• Heavy Atom Count: 64
• Complexity: 521

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O.CCCCCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCCCCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O.CCCCCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O.C(=C/C(=O)O)\C(=O)O