Registration Dossier
Registration Dossier
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EC number: 406-530-2 | CAS number: - MDI
Reference substances
- IUPAC name:
- 3‐cyclohexyl‐1‐[4‐({4‐[(cyclohexylcarbamoyl)amino]phenyl}methyl)phenyl]urea
Inventory
- EC number:
- 406-370-3
- EC name:
- 3,3'-dicyclohexyl-1,1'-methylenebis(4,1-phenylene)diurea
- CAS number:
- -
- Description:
- MDI/CHA
- CAS number:
- 58890-25-8
Synonyms
- Names:
- 1-cyclohexyl-3-[4-({4-[(cyclohexylcarbamoyl)amino]phenyl}methyl)phenyl]urea
- CHA-MDI-CHA
- MDI-CHA/CHA
- MDI/CHA
- N,N''-(methylenedi-4,1-phenylene)bis[N'-cyclohexylurea]
- Urea, 1,1'-(methylenedi-p-phenylene)bis[3-cyclohexyl-
- Urea, 1,1'-(methylenedi-p-phenylene)bis[3-cyclohexyl- (7CI)
- bis(N-cyclohexyl-N'-phenyleneureido)methylene
- Identifier:
- IUPAC name
- 3,3'-dicyclohexyl-1,1'-methylenebis(4,1-phenylene)diurea
- Identifier:
- other: Molecular formula
- C27 H36 N4 O2
- Identifier:
- other: Molecular formula
- C27H36N4O2
- Identifier:
- other: SMILES notation
- O=C(NC1CCCCC1)Nc4cc(Cc3cccc(NC(=O)NC2CCCCC2)c3)ccc4
- Identifier:
- other: SMILES notation
- O=C(NC1CCCCC1)Nc4ccc(Cc3ccc(NC(=O)NC2CCCCC2)cc3)cc4
- Identifier:
- other: InChl
- not available
Molecular and structural information
- Molecular formula:
- C27 H36 N4 O2
- Molecular weight:
- 448.6
- SMILES notation:
- O=C(NC1CCCCC1)Nc1ccc(Cc2ccc(NC(=O)NC3CCCCC3)cc2)cc1
- InChl:
- InChI=1S/C27H36N4O2/c32-26(28-22-7-3-1-4-8-22)30-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)31-27(33)29-23-9-5-2-6-10-23/h11-18,22-23H,1-10,19H2,(H2,28,30,32)(H2,29,31,33)
- Structural formula:
Related substances
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