(±)-Iopanoic acid

C₁₁H₁₂I₃NO₂CAS 96-83-3570.94 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Halogen Primary Amine

Properties

Molecular formula: C₁₁H₁₂I₃NO₂
Molar mass: 570.94 g/mol
Exact mass: 570.8002 Da
Melting point: 155.2 °C
logP: 3.74Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Identifiers

CAS number

96-83-3

SMILES

CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O

InChIKey

OIRFJRBSRORBCM-UHFFFAOYSA-N

InChI

InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

26 names · show all

Benzenepropanoic acid, 3-amino-α-ethyl-2,4,6-triiodo-
Hydrocinnamic acid, 3-amino-α-ethyl-2,4,6-triiodo-
3-Amino-α-ethyl-2,4,6-triiodobenzenepropanoic acid
3-Amino-α-ethyl-2,4,6-triiodohydrocinnamic acid
2-(3-Amino-2,4,6-triiodobenzyl)butyric acid
3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid
Copanoic
2-Ethyl-3-(3-amino-2,4,6-triiodophenyl)propionic acid
Iodopanic acid
Iodopanoic acid
Iopanoic acid
Jopagnost
Telepaque
α-Ethyl-β-(3-amino-2,4,6-triiodophenyl)propionic acid
3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropionic acid
Colepax
Iopanoicum
Cholevid
Iopagnost
Bilijodon
Choladine
Cistobil
NSC 41706
2-[(5-Amino-2,4,6-triiodophenyl)methyl]butanoic acid
2-[(3-Amino-2,4,6-triiodophenyl)methyl]butanoic acid
2-(3-Amino-2,4,6-triiodobenzyl)butanoic acid

Work with (±)-Iopanoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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