tert-Butyl cyanoacetate

CAS Registry Number®

1116-98-9

CAS Name

tert-Butyl cyanoacetate

Molecular Formula

C7H11NO2

Molecular Mass

141.17

Cite this Page

tert-Butyl cyanoacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1116-98-9 (retrieved 2024-11-21) (CAS RN: 1116-98-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    90 °C @ Press: 10 Torr

  • Density (2)

    1.0095 g/cm³ @ Temp: 21 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3

InChIKey

InChIKey=BFNYNEMRWHFIMR-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(CC#N)=O

Canonical SMILES

N#CCC(=O)OC(C)(C)C

Other Names for this Substance

  • Acetic acid, 2-cyano-, 1,1-dimethylethyl ester
  • Acetic acid, cyano-, tert-butyl ester
  • Acetic acid, cyano-, 1,1-dimethylethyl ester
  • tert-Butyl cyanoacetate
  • 1,1-Dimethylethyl cyanoacetate

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Deleted or Replaced CAS Registry Numbers

57710-63-1, 1654002-83-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration