1,3-Propanediol, 2,2-diphenyl-, dicarbamate

Base Information

• Chemical Name: 1,3-Propanediol, 2,2-diphenyl-, dicarbamate
• CAS No.: 25451-78-9
• Molecular Formula: C17H18 N2 O4
• Molecular Weight: 314.34
• Hs Code.: 2924299090
• NSC Number: 108729
• UNII: 5IRU0ETE5Y
• DSSTox Substance ID: DTXSID50180129
• Nikkaji Number: J50.808J
• Wikidata: Q83050634
• Mol file: 25451-78-9.mol

Synonyms:1,3-Propanediol, 2,2-diphenyl-, dicarbamate;25451-78-9;2,2-Diphenyl-1,3-propanediol dicarbamate;5IRU0ETE5Y;NSC-108729;NSC 108729;BRN 3000823;NSC108729;UNII-5IRU0ETE5Y;1, 2,2-diphenyl-, dicarbamate;DTXSID50180129

Chemical Property of 1,3-Propanediol, 2,2-diphenyl-, dicarbamate

Chemical Property:

• Vapor Pressure: 4.03E-14mmHg at 25°C
• Boiling Point: 594.9°C at 760 mmHg
• Flash Point: 293.8°C
• PSA: 104.64000
• Density: 1.257g/cm³
• LogP: 3.56390
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 314.12665706
• Heavy Atom Count: 23
• Complexity: 363

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(COC(=O)N)(COC(=O)N)C2=CC=CC=C2