alpha-(2-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-1H-indole-4-methanol benzoate

Base Information

• Chemical Name: alpha-(2-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-1H-indole-4-methanol benzoate
• CAS No.: 133994-53-3
• Molecular Formula: C29H34N2O5
• Molecular Weight: 490.5907
• DSSTox Substance ID: DTXSID70158446

Synonyms:alpha-(2-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-1H-indole-4-methanol benzoate;1H-Indole-4-methanol, alpha-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (R*,S*)-, monobenzoate (salt);133994-53-3;C22-H28-N2-O3.C7-H6-O2;C22H28N2O3.C7H6O2;DTXSID70158446;LS-83196

Chemical Property of alpha-(2-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-1H-indole-4-methanol benzoate

Chemical Property:

• Vapor Pressure: 2.27E-15mmHg at 25°C
• Boiling Point: 602.6°Cat760mmHg
• Flash Point: 318.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 490.24677219
• Heavy Atom Count: 36
• Complexity: 557

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Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)NCC(COC1=CC=CC=C1C(C2=C3C=CNC3=CC=C2)O)O.C1=CC=C(C=C1)C(=O)O
• Isomeric SMILES: CC(C)(C)NC[C@H](COC1=CC=CC=C1[C@H](C2=C3C=CNC3=CC=C2)O)O.C1=CC=C(C=C1)C(=O)O

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