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Selegiline

CAS Registry Number®

14611-51-9

CAS Name

Selegiline

Molecular Formula

C13H17N

Molecular Mass

187.28

Cite this Page

Selegiline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14611-51-9 (retrieved 2024-11-23) (CAS RN: 14611-51-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    92-93 °C @ Press: 0.8 Torr

  • Melting Point (2)

    137.5-139 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
  • (2) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1

InChIKey

InChIKey=MEZLKOACVSPNER-GFCCVEGCSA-N

SMILES

C([C@H](N(CC#C)C)C)C1=CC=CC=C1

Canonical SMILES

C#CCN(C)C(C)CC=1C=CC=CC1

Other Names for this Substance

  • Benzeneethanamine, N,α-dimethyl-N-2-propyn-1-yl-, (αR)-
  • Phenethylamine, N,α-dimethyl-N-2-propynyl-, L-(-)-
  • Benzeneethanamine, N,α-dimethyl-N-2-propynyl-, (R)-
  • Benzeneethanamine, N,α-dimethyl-N-2-propynyl-, (αR)-
  • (αR)-N,α-Dimethyl-N-2-propyn-1-ylbenzeneethanamine

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Deleted or Replaced CAS Registry Numbers

172964-89-5

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