1H-Imidazole-1-carboxylic acid, 1,1-dimethylethyl ester

CAS Registry Number®

49761-82-2

CAS Name

1H-Imidazole-1-carboxylic acid, 1,1-dimethylethyl ester

Molecular Formula

C8H12N2O2

Molecular Mass

168.19

Cite this Page

1H-Imidazole-1-carboxylic acid, 1,1-dimethylethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=49761-82-2 (retrieved 2024-11-24) (CAS RN: 49761-82-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    45-47.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H12N2O2/c1-8(2,3)12-7(11)10-5-4-9-6-10/h4-6H,1-3H3

InChIKey

InChIKey=MTBKGWHHOBJMHJ-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)N1C=CN=C1

Canonical SMILES

O=C(OC(C)(C)C)N1C=NC=C1

Other Names for this Substance

  • 1H-Imidazole-1-carboxylic acid, 1,1-dimethylethyl ester
  • Imidazole-1-carboxylic acid, tert-butyl ester
  • 1-(tert-Butoxycarbonyl)imidazole
  • tert-Butyl imidazole-1-carboxylate
  • tert-Butyl 1H-imidazole-1-carboxylate

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Deleted or Replaced CAS Registry Numbers

71645-11-9

CAS INSIGHTSTM
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