ε-Caprolactam-isophorone diisocyanate adduct (2:1)

CAS Registry Number®

55954-19-3

CAS Name

ε-Caprolactam-isophorone diisocyanate adduct (2:1)

Molecular Formula

C24H40N4O4

Molecular Mass

448.60

Cite this Page

ε-Caprolactam-isophorone diisocyanate adduct (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55954-19-3 (retrieved 2024-12-22) (CAS RN: 55954-19-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H40N4O4/c1-23(2)14-18(26-22(32)28-13-9-5-7-11-20(28)30)15-24(3,16-23)17-25-21(31)27-12-8-4-6-10-19(27)29/h18H,4-17H2,1-3H3,(H,25,31)(H,26,32)

InChIKey

InChIKey=OUXZKCYUOAUYIV-UHFFFAOYSA-N

SMILES

N(C(=O)N1C(=O)CCCCC1)C2CC(CNC(=O)N3C(=O)CCCCC3)(C)CC(C)(C)C2

Canonical SMILES

O=C(NCC1(C)CC(NC(=O)N2C(=O)CCCCC2)CC(C)(C)C1)N3C(=O)CCCCC3

Other Names for this Substance

  • 1H-Azepine-1-carboxamide, N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]hexahydro-2-oxo-
  • N-[3-[[[(Hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]hexahydro-2-oxo-1H-azepine-1-carboxamide
  • Isophorone diisocyanate caprolactam adduct (1:2)
  • ε-Caprolactam-isophorone diisocyanate adduct (2:1)

Deleted or Replaced CAS Registry Numbers

42912-25-4

CAS INSIGHTSTM
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