Methyl 2,6-diisocyanatohexanoate

CAS Registry Number®

4460-02-0
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CAS Name

Methyl 2,6-diisocyanatohexanoate

Molecular Formula

C9H12N2O4

Molecular Mass

212.20

Cite this Page

Methyl 2,6-diisocyanatohexanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4460-02-0 (retrieved 2024-05-06) (CAS RN: 4460-02-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    123 °C @ Press: 0.45 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H12N2O4/c1-15-9(14)8(11-7-13)4-2-3-5-10-6-12/h8H,2-5H2,1H3

InChIKey

InChIKey=AYLRODJJLADBOB-UHFFFAOYSA-N

SMILES

C(CCCCN=C=O)(C(OC)=O)N=C=O

Canonical SMILES

O=C=NCCCCC(N=C=O)C(=O)OC

Other Names for this Substance

  • Hexanoic acid, 2,6-diisocyanato-, methyl ester
  • Methyl 2,6-diisocyanatohexanoate
  • Methyl 2,6-diisocyanatocaproate
  • Lysine diisocyanate methyl ester
  • Methyl α,ε-diisocyanatocaproate

Deleted or Replaced CAS Registry Numbers

70332-53-5

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