Registration Dossier
Registration Dossier
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EC number: 451-060-3 | CAS number: 122886-55-9
Reference substances
- IUPAC name:
- 3-octyl-1-[4-({4-[(octylcarbamoyl)amino]phenyl}methyl)phenyl]urea
Inventory
- EC number:
- 451-060-3
- EC name:
- -
- CAS number:
- -
- Description:
- KY-UN
- CAS number:
- 122886-55-9
Synonyms
- Names:
- N-Octyl-N'-[4-[[4-[[(octylamino)carbonyl]amino]phenyl]methyl]phenyl]urea
- Urea,N-N' '-(methylenedi-4,1-phenylene)bis[N'-octyl-]
- Urea,N-N' '-(methylenedi-4,1-phenylene)bis[N'-octyl-]
- Identifier:
- EC number
- 451-060-3
- Identifier:
- IUPAC name
- N,N''-(methylenedi-4,1-phenylene)bis[N'-octylurea]
- Identifier:
- IUPAC name
- N,N’’-(methylenedi-4,1-phenylene)bis(N’-octylurea)
- Identifier:
- other: Molecular formula
- C31 H48 N4 O2
- Identifier:
- other: Molecular formula
- C31H48N4O2
- Identifier:
- other: SMILES notation
- CCCCCCCCNC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)NCCCCCCCC
- Identifier:
- other: InChl
- InChI=1/C31H48N4O2/c1-3-5-7-9-11-13-23-32-30(36)34-28-19-15-26(16-20-28)25-27-17-21-29(22-18-27)35-31(37)33-24-14-12-10-8-6-4-2/h15-22H,3-14,23-25H2,1-2H3,(H2,32,34,36)(H2,33,35,37)/f/h32-35H
- Identifier:
- other: Other name
- N-Octyl-N'-[4-[[4-[[(octylamino)carbonyl]amino]phenyl]methyl]phenyl]urea
- Identifier:
- other: SMILES notation
- O=C(Nc1ccc(cc1)Cc2ccc(NC(=O)NCCCCCCCC)cc2)NCCCCCCCC
- Identifier:
- other: Polyurea structure ID
- PU 8-M-8
- Identifier:
- other: Other name
- Urea, N,N''-(methylenedi-4,1-phenylene)bis[N'-octyl]-
- N,N''-(methylenedi-4,1-phenylene)bis[N'-octylurea]
Molecular and structural information
- Molecular formula:
- C31H48N4O2
- Molecular weight:
- 508.74
- SMILES notation:
- CCCCCCCCNC(=O)Nc1ccc(Cc2ccc(NC(=O)NCCCCCCCC)cc2)cc1
- InChl:
- InChI=1S/C31H48N4O2/c1-3-5-7-9-11-13-23-32-30(36)34-28-19-15-26(16-20-28)25-27-17-21-29(22-18-27)35-31(37)33-24-14-12-10-8-6-4-2/h15-22H,3-14,23-25H2,1-2H3,(H2,32,34,36)(H2,33,35,37)
- Structural formula:
Related substances
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