Iobenzamic acid | Solubility of Things

Identification

Molecular formula

C₁₁H₁₂I₃NO₂

CAS number

3115-26-0

IUPAC name

2-[(3-amino-2,4,6-triiodo-phenyl)methyl]butanoic acid

State

At room temperature, iobenzamic acid is typically in a solid state.

Melting point (Celsius)

180.00

Melting point (Kelvin)

453.15

Boiling point (Celsius)

475.00

Boiling point (Kelvin)

748.15

General information

Molecular weight

529.94g/mol

Molar mass

529.9400g/mol

Density

2.3400g/cm³

Appearence

Iobenzamic acid typically appears as a solid substance. It is often found in the form of a crystalline powder.

Comment on solubility

Solubility of 2-[(3-amino-2,4,6-triiodo-phenyl)methyl]butanoic acid

The compound 2-[(3-amino-2,4,6-triiodo-phenyl)methyl]butanoic acid, with the chemical formula C₁₁H₁₂I₃NO₂, presents an intriguing profile regarding its solubility characteristics.

Key Points on Solubility:

Polar and Non-Polar Interactions: Due to the presence of a hydrophilic carboxylic acid group and an amino group, the solubility in polar solvents such as water is likely to be enhanced.
Impact of Iodine Substituents: The three iodine (I) atoms attached to the phenyl ring contribute to both hydrophobic and steric effects, which may limit solubility in aqueous environments.
Solvent Variability: It is anticipated that this compound could exhibit varying solubility profiles, being more soluble in organic solvents that can better accommodate its hydrophobic characteristics.
Temperature Influence: As with many organic compounds, temperature changes could affect the solubility, typically increasing solubility at elevated temperatures.

In summary, while the compound has functional groups that suggest potential solubility in water, the presence of multiple iodines may pose challenges. The interference from the bulky iodine atoms can result in limited solubility, emphasizing the complex nature of solubility impacted by molecular structure.

Interesting facts

Interesting Facts About 2-[(3-amino-2,4,6-triiodo-phenyl)methyl]butanoic Acid

This intriguing compound, 2-[(3-amino-2,4,6-triiodo-phenyl)methyl]butanoic acid, is particularly noteworthy due to its unique structural characteristics and potential applications. Here are a few fascinating aspects:

Structural Complexity: The presence of a tri-iodinated phenyl group significantly influences the compound's properties. Iodine atoms, due to their size and electronegativity, modify the electronic environment and reactivity of the compound, making it an interesting subject of study.
Biological Relevance: Compounds with amino acids and iodine have implications in medicinal chemistry. Iodinated compounds are often used in imaging processes, especially in medical diagnostics like iodinated contrast media for CT scans.
Potential Hypothyroid Effects: Iodine is crucial for the synthesis of thyroid hormones, and compounds like this one can provide insights into how iodine substitutes affect biological processes within organisms, particularly concerning thyroid function.
Research and Development: This compound could be explored for its pharmacological potential. The triiodo substitution might enhance binding to certain biological targets or improve drug solubility and distribution.

In conclusion, studying 2-[(3-amino-2,4,6-triiodo-phenyl)methyl]butanoic acid can lead to a deeper understanding of iodine's role in biological systems and its applications in medical chemistry. Its structural features and diverse applications make it a fascinating subject for further investigation and potential therapeutic development.

Synonyms

IOPANOIC ACID

96-83-3

Iodopanoic acid

Telepaque

Cholevid

Iopagnost

iopanic acid

Bilijodon

Choladine

Jopagnost

Cistobil

Colepax

Copanoic

Iopanoicum

Polognost

Jopanoic acid

2-(3-Amino-2,4,6-triiodobenzyl)butyric acid

2-(3-Amino-2,4,6-triiodobenzyl)butanoic acid

Teletrast

Acidum iopanoicum

Acido iopanoico

Iodopanic acid

Acide iopanoique

2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid

NSC 41706

Iopanoate

HSDB 3345

3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic acid

WIN 2011

EINECS 202-539-9

NSC-41706

UNII-FE9794P71J

BRN 2220381

Acide iopanoique [INN-French]

Acido iopanoico [INN-Spanish]

Acidum iopanoicum [INN-Latin]

Acido iopanoico [Latin,Spanish]

DTXSID6023159

FE9794P71J

2-Ethyl-3-(3-amino-2,4,6-triiodophenyl)propionic acid

3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid

3-Amino-alpha-ethyl-2,4,6-triiodobenzenepropanoic acid

Benzenepropanoic acid, 3-amino-alpha-ethyl-2,4,6-triiodo-

Hydrocinnamic acid, 3-amino-alpha-ethyl-2,4,6-triiodo-

(pm)-3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic acid

CHEBI:5951

DTXCID603159

beta-(3-Amino-2,4,6-triiodophenyl)-alpha-ethylpropionic acid

Iopanoic acid [USP:INN:BAN:JAN]

2-[(3-amino-2,4,6-triiodo-phenyl)methyl]butanoic acid

Benzenepropanoic acid, 3-amino-.alpha.-ethyl-2,4,6-triiodo-

IOPANOIC ACID (MART.)

IOPANOIC ACID [MART.]

Acide iopanoique (INN-French)

Acido iopanoico (INN-Spanish)

Acidum iopanoicum (INN-Latin)

Acido iopanoico (Latin,Spanish)

3-Amino-.alpha.-ethyl-2,4,6-triiodobenzenepropanoic acid

Hydrocinnamic acid, 3-amino-.alpha.-ethyl-2,4,6-triiodo-

IOPANOIC ACID (EP IMPURITY)

IOPANOIC ACID [EP IMPURITY]

Iopanoic acid (USP:INN:BAN:JAN)

.alpha.-Ethyl-.beta.-(3-amino-2,4,6-triiodophenyl)propionic acid

IOPANOIC ACID (EP MONOGRAPH)

IOPANOIC ACID (USP IMPURITY)

IOPANOIC ACID [EP MONOGRAPH]

IOPANOIC ACID [USP IMPURITY]

Acid, Iopanoic

Acide iopanoique [French]

Acid, Iodopanoic

SR-05000001877

CAS-96-83-3

Telepaque (TN)

NCGC00016357-01

MFCD00038687

Spectrum_001576

Prestwick0_001052

Prestwick1_001052

Prestwick2_001052

Prestwick3_001052

Spectrum2_001206

Spectrum4_000879

Spectrum5_001681

Iopanoic acid (Standard)

CHEMBL867

IOPANOIC ACID [MI]

(.+/-.)-Iopanoic acid

IOPANOIC ACID [INN]

IOPANOIC ACID [JAN]

SCHEMBL38976

BSPBio_001004

IOPANOIC ACID [HSDB]

KBioGR_001577

KBioSS_002056

MLS002154127

DivK1c_000902

IOPANOIC ACID [VANDF]

SPECTRUM1503923

SPBio_000992

SPBio_002932

BPBio1_001106

Iopanoic acid (JAN/USP/INN)

IOPANOIC ACID [WHO-DD]

IOPANOIC ACID [WHO-IP]

HMS502N04

HY-B1664R

KBio1_000902

KBio2_002056

KBio2_004624

KBio2_007192

OIRFJRBSRORBCM-UHFFFAOYSA-

Hydrocinnamic acid,4,6-triiodo-

V08AC06

NINDS_000902

HMS1571C06

HMS1922K20

HMS2093M03

HMS2098C06

HMS2231G12

HMS3369D07

HMS3715C06

Iopanoic acid, analytical standard

Pharmakon1600-01503923

Benzenepropanoic acid,4,6-triiodo-

HY-B1664

IOPANOIC ACID [ORANGE BOOK]

NSC41706

Tox21_110394

Tox21_303477

Benzenepropanoic acid, 3-amino-alpha-ethyl-2,4,6-triiodo-, (+-)-

CCG-39139

NSC758646

s5497

AKOS015854598

Tox21_110394_1

CS-8125

DB08946

NSC-758646

IDI1_000902

WLN: ZR BI DI FI C1Y2 & VQ

ACIDUM IOPANOICUM [WHO-IP LATIN]

NCGC00095082-01

NCGC00095082-02

NCGC00095082-03

NCGC00095082-06

NCGC00257386-01

AS-66216

SMR001233434

SBI-0051863.P002

2-(2-carbamimidoylsulfanylethyl)isothiourea

2-(3-Amino-2,6-triiodobenzyl)butyric acid

AB00052387

I0300

NS00007827

C08217

D01014

T73105

AB00052387_07

EN300-7397738

2-(3-Amino-2,4,6-triiodobenzyl)butanoic acid #

Q1672108

SR-05000001877-1

SR-05000001877-3

2-Ethyl-3-(3-amino-2,6-triiodophenyl)propionic acid

3-(3-Amino-2,6-triiodophenyl)-2-ethylpropanoic acid

3-Amino-.alpha.-ethyl-2,6-triiodohydrocinnamic acid

BRD-A42628519-001-04-1

BRD-A42628519-001-07-4

BRD-A42628519-001-12-4

3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropionic Acid

3-Amino-.alpha.-ethyl-2,4,6-triiodohydrocinnamic acid

Iopanoic acid, European Pharmacopoeia (EP) Reference Standard

.beta.-(3-Amino-2,4,6-triiodophenyl)-.alpha.-ethylpropionic acid

.beta.-(3-Amino-2,6-triiodophenyl)-.alpha.-ethylpropionic acid

alpha-ETHYL-beta-(3-AMINO-2,4,6-TRIIODOPHENYL)PROPIONIC ACID

Benzenepropanoic acid, 3-amino-.alpha.-ethyl-2,4,6-triiodo-, (.+/-.)-

BENZENEPROPANOIC ACID, 3-AMINO-alpha-ETHYL-2,4,6-TRIIODO-, (+/-)-

BENZENEPROPANOIC ACID, 3-AMINO-.ALPHA.-ETHYL-2,4,6-TRIIODO-, (+/-)-

202-539-9

InChI=1/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)