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Reference substances

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IUPAC name:
3‐cyclohexyl‐1‐[4‐({4‐[(octadecylcarbamoyl)amino]phenyl}methyl)phenyl]urea

Inventory

CAS number:
154099-21-5
Synonyms
Names:
(N-cyclohexyl-N-octadecyl-N'-phenyleneureido)methylene
3-cyclohexyl-1-(4-(4-(3-octadecylureido)benzyl)phenyl)urea
3-cyclohexyl-3'-octadecyl-1,1'-methylenebis(4,1-phenylene)diurea-
CHA-MDI-ODA
MDI-CHA/ODA
N''-{4-[4-(N'-octadecylureido)phenylmethyl]-phenyl}-cyclohexyl urea
N-[4-[[4-[[(Cyclohexylamino)carbonyl]amino]phenyl]methyl]phenyl]-N'-octadecylurea

Molecular and structural information

Molecular formula:
C39 H62 N4 O2
Molecular weight:
618.94
SMILES notation:
O=C(NC1CCCCC1)Nc3ccc(Cc2ccc(NC(=O)NCCCCCCCCCCCCCCCCCC)cc2)cc3
InChl:
InChI=1S/C39H62N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-40-38(44)41-36-27-23-33(24-28-36)32-34-25-29-37(30-26-34)43-39(45)42-35-21-18-17-19-22-35/h23-30,35H,2-22,31-32H2,1H3,(H2,40,41,44)(H2,42,43,45)
Structural formula:
Chemical structure

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