Molecular Identity
Diphenylmethane diisocyanate
1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
PubChem CID: 7570
Diphenylmethane-4,4'-diisocyanate is a diisocyanate consisting of diphenylmethane with two isocyanate groups at the 4- and 4'-positions. It has a role as an allergen and a hapten. It derives from a hydride of a diphenylmethane.
2D Structure
Properties
C15H10N2O2
Molecular Formula
250.25
Molecular Weight
g/mol
250.0742
Exact Mass
Da
5.4
XLogP
Above Lipinski threshold
58.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
332
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=OIsomeric SMILES
SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=OSynonyms(20)
101-68-84,4'-Diphenylmethane diisocyanateDiphenylmethane diisocyanateBis(4-isocyanatophenyl)methane4,4'-Methylenebis(phenyl isocyanate)IsonateDesmodur 44p,p'-Diphenylmethane diisocyanate1,1'-Methylenebis(4-isocyanatobenzene)Methylbisphenyl isocyanate4,4'-Methylenediphenyl diisocyanate4,4'-DiisocyanatodiphenylmethaneMethylene bisphenyl isocyanatediphenylmethane-4,4'-diisocyanateCaradate 30
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Diphenylmethane diisocyanate
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