Registration Dossier
Registration Dossier
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EC number: 617-779-3 | CAS number: 85940-94-9
Reference substances
- IUPAC name:
- 1,3,5-tris{6-[({[(1-methylpropylidene)amino]oxy}carbonyl)amino]hexyl}-1,3,5-triazinane-2,4,6-trione
Inventory
- EC number:
- 299-988-6
- EC name:
- 1,3,5-tris[6-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]hexyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
- CAS number:
- 93919-05-2
- CAS number:
- 93919-05-2
Synonyms
- Names:
- Identifier:
- IUPAC name
- 1,3,5-tris{6-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}-1,3,5-triazinane-2,4,6-trione
- Identifier:
- IUPAC name
- Reaction product of 3 mol HDI with 3 mol of 2-butanone oxime (n = 3)
- Identifier:
- other: SMILES notation
- C/C(CC)=N\OC(=O)NCCCCCCN1C(=O)N(CCCCCCNC(=O)O\N=C(/C)CC)C(=O)N(CCCCCCNC(=O)O\N=C(/C)CC)C1=O
- Identifier:
- other: InChl
- InChI=1S/C36H63N9O9/c1-7-28(4)40-52-31(46)37-22-16-10-13-19-25-43-34(49)44(26-20-14-11-17-23-38-32(47)53-41-29(5)8-2)36(51)45(35(43)50)27-21-15-12-18-24-39-33(48)54-42-30(6)9-3/h7-27H2,1-6H3,(H,37,46)(H,38,47)(H,39,48)
- Identifier:
- other: SMILES notation
- N1(C(N(C(N(C1=O)CCCCCCNC(O/N=C(/C)CC)=O)=O)CCCCCCNC(O/N=C(/C)CC)=O)=O)CCCCCCNC(O/N=C(/C)CC)=O
Molecular and structural information
- Molecular formula:
- C36H63N9O9
- Molecular weight:
- 765.94
- SMILES notation:
- CC(CC)=NOC(=O)NCCCCCCN1C(=O)N(CCCCCCNC(=O)ON=C(C)CC)C(=O)N(CCCCCCNC(=O)ON=C(C)CC)C1=O
- InChl:
- InChI=1/C36H63N9O9/c1-7-28(4)40-52-31(46)37-22-16-10-13-19-25-43-34(49)44(26-20-14-11-17-23-38-32(47)53-41-29(5)8-2)36(51)45(35(43)50)27-21-15-12-18-24-39-33(48)54-42-30(6)9-3/h7-27H2,1-6H3,(H,37,46)(H,38,47)(H,39,48)
- Structural formula:
Related substances
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