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Reference substances

Reference substances

Currently viewing:
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:
Chemical structure

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