Linamarin

CAS Registry Number®

554-35-8
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CAS Name

Linamarin

Molecular Formula

C10H17NO6

Molecular Mass

247.25

Cite this Page

Linamarin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=554-35-8 (retrieved 2024-04-24) (CAS RN: 554-35-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    142-143 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1

InChIKey

InChIKey=QLTCHMYAEJEXBT-ZEBDFXRSSA-N

SMILES

O(C(C#N)(C)C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Canonical SMILES

N#CC(OC1OC(CO)C(O)C(O)C1O)(C)C

Other Names for this Substance

  • Propanenitrile, 2-(β-D-glucopyranosyloxy)-2-methyl-
  • Linamarin
  • 2-(β-D-Glucopyranosyloxy)-2-methylpropanenitrile
  • α-Hydroxyisobutyronitrile β-D-glucose
  • Phaseolunatin

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Deleted or Replaced CAS Registry Numbers

30372-72-6, 1194765-62-2

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