4-(Dimethylamino)benzoic acid 2-ethylhexyl ester

CAS Registry Number®

21245-02-3

CAS Name

4-(Dimethylamino)benzoic acid 2-ethylhexyl ester

Molecular Formula

C17H27NO2

Molecular Mass

277.40

Cite this Page

4-(Dimethylamino)benzoic acid 2-ethylhexyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21245-02-3 (retrieved 2024-11-22) (CAS RN: 21245-02-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    242.5-243.5 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3

InChIKey

InChIKey=WYWZRNAHINYAEF-UHFFFAOYSA-N

SMILES

C(OCC(CCCC)CC)(=O)C1=CC=C(N(C)C)C=C1

Canonical SMILES

O=C(OCC(CC)CCCC)C1=CC=C(C=C1)N(C)C

Other Names for this Substance

  • Benzoic acid, 4-(dimethylamino)-, 2-ethylhexyl ester
  • Benzoic acid, p-(dimethylamino)-, 2-ethylhexyl ester
  • Escalol 507
  • 2-Ethylhexyl 4-(N,N-dimethylamino)benzoate
  • 2-Ethylhexyl p-(dimethylamino)benzoate

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Deleted or Replaced CAS Registry Numbers

127361-11-9, 676261-74-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration