Iocetamic acid

CAS Registry Number®

16034-77-8

CAS Name

Iocetamic acid

Molecular Formula

C12H13I3N2O3

Molecular Mass

613.96

Cite this Page

Iocetamic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16034-77-8 (retrieved 2024-11-24) (CAS RN: 16034-77-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    224-225 °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/C12H13I3N2O3/c1-5(12(19)20)4-17(6(2)18)11-8(14)3-7(13)10(16)9(11)15/h3,5H,4,16H2,1-2H3,(H,19,20)

InChIKey

InChIKey=GSVQIUGOUKJHRC-UHFFFAOYSA-N

SMILES

N(CC(C(O)=O)C)(C(C)=O)C1=C(I)C(N)=C(I)C=C1I

Canonical SMILES

O=C(O)C(C)CN(C(=O)C)C=1C(I)=CC(I)=C(N)C1I

Other Names for this Substance

  • Propanoic acid, 3-[acetyl(3-amino-2,4,6-triiodophenyl)amino]-2-methyl-
  • β-Alanine, N-acetyl-N-(3-amino-2,4,6-triiodophenyl)-2-methyl-
  • 3-[Acetyl(3-amino-2,4,6-triiodophenyl)amino]-2-methylpropanoic acid
  • N-Acetyl-N-(3-amino-2,4,6-triiodophenyl)-2-methyl-β-alanine
  • Iocetamic acid

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Deleted or Replaced CAS Registry Numbers

25312-12-3

CAS INSIGHTSTM
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