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Reference substances

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IUPAC name:
3,3‐dicyclohexyl‐1‐[4‐({4‐[(dicyclohexylcarbamoyl)amino]phenyl}methyl)phenyl]urea

Inventory

CAS number:
127194-10-9
Synonyms
Names:
DCHA-MDI-DCHA
MDI-DCHA/DCHA
MDI/DCHA
N,N''-(methylenedi-4,1-phenylene)- bis(N'-dicyclohexyl)urea
Urea, N,N''-(methylenedi-4,1-phenylene)bis-N'-dicyclohexyl-
bis(N-dicyclohexyl-N'-phenyleneureido)methylene

Molecular and structural information

Molecular formula:
C39 H56 N4 O2
Molecular weight:
612.89
SMILES notation:
C1CCC(CC1)N(C2CCCCC2)C(=O)NC3=CC=C(C=C3)CC4=CC=C(C=C4)NC(=O)N(C5CCCCC5)C6CCCCC6
InChl:
InChI=1S/C39H56N4O2/c44-38(42(34-13-5-1-6-14-34)35-15-7-2-8-16-35)40-32-25-21-30(22-26-32)29-31-23-27-33(28-24-31)41-39(45)43(36-17-9-3-10-18-36)37-19-11-4-12-20-37/h21-28,34-37H,1-20,29H2,(H,40,44)(H,41,45)
Structural formula:
Chemical structure

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