4-Methylcaprolactam

CAS Registry Number®

3623-05-0

CAS Name

4-Methylcaprolactam

Molecular Formula

C7H13NO

Molecular Mass

127.18

Cite this Page

4-Methylcaprolactam.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3623-05-0 (retrieved 2024-10-05) (CAS RN: 3623-05-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    140-142 °C @ Press: 10 Torr

  • Melting Point (2)

    100-101 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H13NO/c1-6-3-2-4-8-7(9)5-6/h6H,2-5H2,1H3,(H,8,9)

InChIKey

InChIKey=SUXWXEJDQZBDNL-UHFFFAOYSA-N

SMILES

CC1CC(=O)NCCC1

Canonical SMILES

O=C1NCCCC(C)C1

Other Names for this Substance

  • 2H-Azepin-2-one, hexahydro-4-methyl-
  • Hexahydro-4-methyl-2H-azepin-2-one
  • 4-Methylcaprolactam
  • β-Methylcaprolactam

Deleted or Replaced CAS Registry Numbers

20206-98-8

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox