Carbamic acid, (3-isocyanatomethylphenyl)-, oxydi-2,1-ethanediyl ester

Base Information

• Chemical Name: Carbamic acid, (3-isocyanatomethylphenyl)-, oxydi-2,1-ethanediyl ester
• CAS No.: 60732-52-7
• Deprecated CAS: 112459-17-3
• Molecular Formula: C22H22 N4 O7
• Molecular Weight: 454.43268
• European Community (EC) Number: 262-394-2
• DSSTox Substance ID: DTXSID9069427
• Nikkaji Number: J268.274E
• Mol file: 60732-52-7.mol

Synonyms:60732-52-7;Carbamic acid, (3-isocyanatomethylphenyl)-, oxydi-2,1-ethanediyl ester;EINECS 262-394-2;DTXSID9069427;SCHEMBL14895046;Diethylene glycol, urethane (1:2) with toluene-2,4-diisocyanate;Carbamic acid, N,N'-(3-isocyanatomethylphenyl)-, C,C'-(oxydi-2,1-ethanediyl) ester;Diethylene glycol, urethane (1:2) with toluene 2,4-diisocyanate and toluene 2,6-diisocyanate;Oxydiethylene bis((3-isocyanatomethylphenyl)carbamate)

Chemical Property of Carbamic acid, (3-isocyanatomethylphenyl)-, oxydi-2,1-ethanediyl ester

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 14
• Exact Mass: 454.14884905
• Heavy Atom Count: 33
• Complexity: 649

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NC(=O)OCCOCCOC(=O)NC2=CC=CC(=C2)CN=C=O)CN=C=O

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