Success!

Failed to copy.

Ioxitalamic acid
28179-44-4 | DTXSID60182457

Searched by Approved Name: Found 1 result for 'Ioxitalamic acid [INN:DCF]'.

Image not found
Wikipedia
Imgnotfound
Intrinsic Properties

Molecular Formula: C12H11I3N2O5

Average Mass: 643.942 g/mol

Monoisotopic Mass: 643.780210 g/mol

Structural Identifiers

IUPAC Name: 3-Acetamido-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid

SMILES: CC(=O)NC1=C(I)C(C(=O)NCCO)=C(I)C(C(O)=O)=C1I

InChI String: InChI=1S/C12H11I3N2O5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22)

InChIKey: OLAOYPRJVHUHCF-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID60182457 (accessed April 24, 2018), Ioxitalamic acid

Data Quality

Level 1:Expert curated, highest confidence in accuracy and consistency of unique chemical identifiers

Level 2:Expert curated, unique chemical identifiers using multiple sources

Level 3:Programmatically curated from high quality EPA source, unique chemical identifiers have no conflicts in ChemID and PubChem

Level 4:Programmatically curated from ChemID, unique chemical identifiers have no conflicts in PubChem

Level 5:Programmatically curated from ACToR or PubChem, unique chemical identifiers with low confidence, single public source

Loaded based on no conflicts with this data in chemid and pubchem

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

1.37e-01 (5)

-

0.5

-

-1.20 to 1.28

-

Water Solubility

-

6.97e-03 (4)

-

3.52e-03

-

4.84e-05 to 2.08e-02

mol/L

Density

-

2.91 (1)

- - - -

g/cm^3

Flash Point

-

334 (2)

-

334

-

306 to 362

°C

Melting Point

-

245 (4)

-

252

-

167 to 311

°C

Boiling Point

-

506 (5)

-

570

-

320 to 710

°C

Vapor Pressure

-

5.42e-09 (3)

-

1.99e-14

-

7.70e-15 to 1.63e-08

mmHg

LogKoa: Octanol-Air

-

9.46 (1)

- - - - -

Henry's Law

-

1.42e-11 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

1.37e-01 (5)

0.5

-1.20 to 1.28

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

0.5

Not Available

Not Available

NICEATM

-1.20

Not Available

Available

ACD/Labs Consensus

1.28

Not Available

Not Available

ACD/Labs

-0.857

Not Available

Not Available

OPERA

9.65e-01

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

6.97e-03 (4)

3.52e-03

4.84e-05 to 2.08e-02

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.84e-05 mol/L

Not Available

Not Available

NICEATM

2.08e-02 mol/L

Not Available

Available

OPERA

4.96e-03 mol/L

OPERA Model Report

Available

TEST

2.07e-03 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

2.91 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

2.91 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

334 (2)

334

306 to 362

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

306 °C

Not Available

Not Available

TEST

362 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

245 (4)

252

167 to 311

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

311 °C

Not Available

Not Available

NICEATM

167 °C

Not Available

Available

OPERA

202 °C

OPERA Model Report

Available

TEST

303 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

506 (5)

570

320 to 710

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

710 °C

Not Available

Not Available

NICEATM

345 °C

Not Available

Available

ACD/Labs

583 °C

Not Available

Not Available

OPERA

320 °C

OPERA Model Report

Available

TEST

570 °C

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

5.42e-09 (3)

1.99e-14

7.70e-15 to 1.63e-08

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

7.70e-15 mmHg

Not Available

Available

ACD/Labs

1.99e-14 mmHg

Not Available

Not Available

OPERA

1.63e-08 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

9.46 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.46

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.42e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.42e-11 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

108 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

6.89e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

7.84 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

2.50e-01 (1)

- - - -

days

Bioconcentration Factor

-

1.61 (2)

-

1.61

-

2.60e-02 to 3.20

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

108 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

108 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

6.89e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.89e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

7.84 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.84 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

2.50e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.50e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1.61 (2)

1.61

2.60e-02 to 3.20

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.60e-02

Not Available

Available

OPERA

3.20

OPERA Model Report

Available

Found 13 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Ioxitalamic acid
3-Acetamido-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid
Benzoic acid, 3-(acetylamino)-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodo-
28179-44-4 Active CAS-RN
Acidum joxitalamicum
EINECS 248-887-5
Acide ioxitalamique
Acido iossitalamico
Acido ioxitalamico
Acidum ioxitalamicum
UNII-967RDI7Z6K FDA Registry Number
5-acetamido-2,4,6-triiodo-N-(2-hydroxyethyl)-isophthalamic acid
iooxitalamic acid
Imgnotfound
Imgnotfound
Imgnotfound
Imgnotfound

National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Exposure Predictions

There is no exposure data available.

Imgnotfound

PubChem Articles

Select Term:

AND

AND

Edit the Query Before Querying ()

You have hit the max of 255 characters for this query.

PubChem Patents

Loading Image

Searched with a similarity threshold of 0.8

Executive Summary

Imgnotfound