Isoetharine

CAS Registry Number®

530-08-5
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CAS Name

Isoetharine

Molecular Formula

C13H21NO3

Molecular Mass

239.31

Cite this Page

Isoetharine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=530-08-5 (retrieved 2024-07-12) (CAS RN: 530-08-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3

InChIKey

InChIKey=HUYWAWARQUIQLE-UHFFFAOYSA-N

SMILES

C(C(NC(C)C)CC)(O)C1=CC(O)=C(O)C=C1

Canonical SMILES

OC1=CC=C(C=C1O)C(O)C(NC(C)C)CC

Other Names for this Substance

  • 1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]butyl]-
  • Benzyl alcohol, 3,4-dihydroxy-α-[1-(isopropylamino)propyl]-
  • Protocatechuyl alcohol, α-(1-isopropylaminopropyl)-
  • 4-[1-Hydroxy-2-[(1-methylethyl)amino]butyl]-1,2-benzenediol
  • Win 3046

Deleted or Replaced CAS Registry Numbers

13725-16-1, 32095-14-0