1,1-Dimethylethyl 3-(cyanomethyl)-1H-indole-1-carboxylate

CAS Registry Number®

218772-62-4

CAS Name

1,1-Dimethylethyl 3-(cyanomethyl)-1H-indole-1-carboxylate

Molecular Formula

C15H16N2O2

Molecular Mass

256.30

Cite this Page

1,1-Dimethylethyl 3-(cyanomethyl)-1H-indole-1-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=218772-62-4 (retrieved 2024-12-01) (CAS RN: 218772-62-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    90-90.3 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H16N2O2/c1-15(2,3)19-14(18)17-10-11(8-9-16)12-6-4-5-7-13(12)17/h4-7,10H,8H2,1-3H3

InChIKey

InChIKey=YCQLNYZZVFUWIZ-UHFFFAOYSA-N

SMILES

C(C#N)C=1C=2C(N(C(OC(C)(C)C)=O)C1)=CC=CC2

Canonical SMILES

N#CCC1=CN(C(=O)OC(C)(C)C)C=2C=CC=CC21

Other Names for this Substance

  • 1H-Indole-1-carboxylic acid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 3-(cyanomethyl)-1H-indole-1-carboxylate
  • [1-(tert-Butoxycarbonyl)indol-3-yl]acetonitrile

Deleted or Replaced CAS Registry Numbers

783349-71-3, 1624333-22-7

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