1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)

Base Information

• Chemical Name: 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)
• CAS No.: 104525-00-0
• Molecular Formula: C26H27NO5S
• Molecular Weight: 465.5613
• DSSTox Substance ID: DTXSID50146528

Synonyms:1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt);104525-00-0;2-((Benzo(a)pyren-6-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate (salt);2-((Benzo(a)pyren-6-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate;SCHEMBL10349448;DTXSID50146528

Chemical Property of 1,3-Propanediol, 2-((benzo(a)pyren-6-ylmethyl)amino)-2-methyl-, methanesulfonate (salt)

Chemical Property:

• Vapor Pressure: 1.53E-17mmHg at 25°C
• Boiling Point: 645.5°Cat760mmHg
• Flash Point: 194.8°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 465.16099414
• Heavy Atom Count: 33
• Complexity: 639

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CO)(CO)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51.CS(=O)(=O)O

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