1,1-Dimethylethyl N-[(1S)-1-cyano-2-phenylethyl]carbamate

CAS Registry Number®

99281-90-0
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CAS Name

1,1-Dimethylethyl N-[(1S)-1-cyano-2-phenylethyl]carbamate

Molecular Formula

C14H18N2O2

Molecular Mass

246.30

Cite this Page

1,1-Dimethylethyl N-[(1S)-1-cyano-2-phenylethyl]carbamate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99281-90-0 (retrieved 2024-08-17) (CAS RN: 99281-90-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    114-115 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16-12(10-15)9-11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3,(H,16,17)/t12-/m0/s1

InChIKey

InChIKey=PMCZSKSPRUQIOF-LBPRGKRZSA-N

SMILES

[C@@H](CC1=CC=CC=C1)(NC(OC(C)(C)C)=O)C#N

Canonical SMILES

N#CC(NC(=O)OC(C)(C)C)CC=1C=CC=CC1

Other Names for this Substance

  • Carbamic acid, N-[(1S)-1-cyano-2-phenylethyl]-, 1,1-dimethylethyl ester
  • Carbamic acid, (1-cyano-2-phenylethyl)-, 1,1-dimethylethyl ester, (S)-
  • Carbamic acid, [(1S)-1-cyano-2-phenylethyl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl N-[(1S)-1-cyano-2-phenylethyl]carbamate

Deleted or Replaced CAS Registry Numbers

944726-83-4, 1120367-08-9