1-(2-((4-(Dimethylamino)phenyl)ethynyl)-5-methoxyphenoxy)-3-(t-butylamino)-2-propanol fumarate

Base Information

• Chemical Name: 1-(2-((4-(Dimethylamino)phenyl)ethynyl)-5-methoxyphenoxy)-3-(t-butylamino)-2-propanol fumarate
• CAS No.: 126661-37-8
• Molecular Formula: C28H36N2O7
• Molecular Weight: 512.5946
• Mol file: 126661-37-8.mol

Synonyms:1-(2-((4-(Dimethylamino)phenyl)ethynyl)-5-methoxyphenoxy)-3-(t-butylamino)-2-propanol fumarate;2-Propanol, 1-(2-((4-(dimethylamino)phenyl)ethynyl)-5-methoxyphenoxy)-3-((1,1-dimethylethyl)amino)-, (E)-2-butenedioate;126661-37-8;C24H32N2O3.C4H4O4;LS-122193;C24-H32-N2-O3.C4-H4-O4

Chemical Property of 1-(2-((4-(Dimethylamino)phenyl)ethynyl)-5-methoxyphenoxy)-3-(t-butylamino)-2-propanol fumarate

Chemical Property:

• Vapor Pressure: 1E-13mmHg at 25°C
• Boiling Point: 567.7°Cat760mmHg
• Flash Point: 297.1°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 512.25225149
• Heavy Atom Count: 37
• Complexity: 656

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NCC(COC1=C(C=CC(=C1)OC)C#CC2=CC=C(C=C2)N(C)C)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC(C)(C)NCC(COC1=C(C=CC(=C1)OC)C#CC2=CC=C(C=C2)N(C)C)O.C(=C/C(=O)O)\C(=O)O