1-Methyl-1,3-propanediyl(5-isocyanato-2(or 4)-methylphenyl)carbamate

Base Information

• Chemical Name: 1-Methyl-1,3-propanediyl(5-isocyanato-2(or 4)-methylphenyl)carbamate
• CAS No.: 65105-00-2
• Molecular Formula: C22H22 N4 O6
• Molecular Weight: 438.43328
• European Community (EC) Number: 265-445-7,269-859-9
• DSSTox Substance ID: DTXSID70983654
• Nikkaji Number: J286.682J
• Mol file: 65105-00-2.mol

Synonyms:65105-00-2;1-Methyl-1,3-propanediyl(5-isocyanato-2(or 4)-methylphenyl)carbamate;68366-14-3;Carbamic acid, (3-isocyanatomethylphenyl)-, 1-methyl-1,3-propanediyl ester;EINECS 265-445-7;EINECS 269-859-9;SCHEMBL16320753;1,3-Butanediol, toluene 2,4-diisocyanate urethane (1:2);DTXSID70983654;Carbamic acid, (5-isocyanato-2(or 4)-methylphenyl)-, 1-methyl-1,3-propanediyl ester;Carbamic acid, N-(3-isocyanatomethylphenyl)-, C,C'-(1-methyl-1,3-propanediyl) ester;Carbamic acid, N-(5-isocyanato-2(or 4)-methylphenyl)-, C,C'-(1-methyl-1,3-propanediyl) ester;1-Methylpropane-1,3-diyl bis((3-isocyanatobenzyl)carbamate);1-Methylpropane-1,3-diyl bis((3-isocyanatomethylphenyl)carbamate);Butane-1,3-diyl bis{hydrogen [3-(isocyanatomethyl)phenyl]carbonimidate}

Chemical Property of 1-Methyl-1,3-propanediyl(5-isocyanato-2(or 4)-methylphenyl)carbamate

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 438.15393443
• Heavy Atom Count: 32
• Complexity: 705

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(CCOC(=O)NC1=CC=CC(=C1)CN=C=O)OC(=O)NC2=CC=CC(=C2)CN=C=O