Protokylol

CAS Registry Number®

136-70-9
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CAS Name

Protokylol

Molecular Formula

C18H21NO5

Molecular Mass

331.36

Cite this Page

Protokylol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=136-70-9 (retrieved 2024-04-27) (CAS RN: 136-70-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    126-127 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C18H21NO5/c1-11(6-12-2-5-17-18(7-12)24-10-23-17)19-9-16(22)13-3-4-14(20)15(21)8-13/h2-5,7-8,11,16,19-22H,6,9-10H2,1H3

InChIKey

InChIKey=LUMAEVHDZXIGEP-UHFFFAOYSA-N

SMILES

C(C(NCC(O)C1=CC(O)=C(O)C=C1)C)C=2C=C3C(=CC2)OCO3

Canonical SMILES

OC1=CC=C(C=C1O)C(O)CNC(C)CC2=CC=C3OCOC3=C2

Other Names for this Substance

  • 1,2-Benzenediol, 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]-
  • Benzyl alcohol, 3,4-dihydroxy-α-[[[α-methyl-3,4-(methylenedioxy)phenethyl]amino]methyl]-
  • Protocatechuyl alcohol, α-[[(α-methyl-3,4-methylenedioxyphenethyl)amino]methyl]-
  • 4-[2-[[2-(1,3-Benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]-1,2-benzenediol
  • JB 251

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Deleted or Replaced CAS Registry Numbers

16625-76-6

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