2-{[Bis(2-hydroxypropyl)amino]methyl}-4-[(3Z)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol

Base Information

• Chemical Name: 2-{[Bis(2-hydroxypropyl)amino]methyl}-4-[(3Z)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
• CAS No.: 7595-77-9
• Molecular Formula: C25H35NO4
• Molecular Weight: 413.5497
• NSC Number: 401627
• DSSTox Substance ID: DTXSID00421418

Synonyms:7595-77-9;DTXSID00421418;NSC401627;NSC-401627;2-{[Bis(2-hydroxypropyl)amino]methyl}-4-[(3Z)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol

Chemical Property of 2-{[Bis(2-hydroxypropyl)amino]methyl}-4-[(3Z)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol

Chemical Property:

• Vapor Pressure: 3.93E-14mmHg at 25°C
• Boiling Point: 576.5°Cat760mmHg
• Flash Point: 286.8°C
• Density: 1.146g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 413.25660860
• Heavy Atom Count: 30
• Complexity: 519

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C(CC)C1=CC(=C(C=C1)O)CN(CC(C)O)CC(C)O)C2=CC=C(C=C2)O
• Isomeric SMILES: CC/C(=C(\CC)/C1=CC(=C(C=C1)O)CN(CC(C)O)CC(C)O)/C2=CC=C(C=C2)O

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