Success!

Failed to copy.

1H-Isoindole-1,3(2H)-dione, 2-(3-azidopropyl)-
88192-21-6 | DTXSID00236882

Searched by CAS-RN: Found 1 result for '88192-21-6'.

Image not found
Intrinsic Properties

Molecular Formula: C11H10N4O2

Average Mass: 230.227 g/mol

Monoisotopic Mass: 230.080376 g/mol

Structural Identifiers

IUPAC Name: 2-(3-Azidopropyl)-1H-isoindole-1,3(2H)-dione

SMILES: [N-]=[N+]=NCCCN1C(=O)C2=CC=CC=C2C1=O

InChI String: InChI=1S/C11H10N4O2/c12-14-13-6-3-7-15-10(16)8-4-1-2-5-9(8)11(15)17/h1-2,4-5H,3,6-7H2

InChIKey: MMSQWAQECRXRGR-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID00236882 (accessed June 19, 2018), 1H-Isoindole-1,3(2H)-dione, 2-(3-azidopropyl)-

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

-

1.64 (3)

-

1.27

-

2.73e-01 to 3.37

-

Water Solubility

-

2.51e-02 (3)

-

9.77e-03

-

6.47e-05 to 6.55e-02

mol/L

Melting Point

-

170 (3)

-

137

-

110 to 264

°C

Boiling Point

-

414 (3)

-

335

-

299 to 609

°C

Vapor Pressure

-

9.53e-09 (2)

-

9.53e-09

-

7.67e-11 to 1.90e-08

mmHg

LogKoa: Octanol-Air

-

9.09 (1)

- - - - -

Henry's Law

-

1.18e-08 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

1.64 (3)

1.27

2.73e-01 to 3.37

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.37

Not Available

Not Available

NICEATM

2.73e-01

Not Available

Available

OPERA

1.27

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

2.51e-02 (3)

9.77e-03

6.47e-05 to 6.55e-02

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

6.47e-05 mol/L

Not Available

Not Available

NICEATM

6.55e-02 mol/L

Not Available

Available

OPERA

9.77e-03 mol/L

OPERA Model Report

Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

170 (3)

137

110 to 264

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

264 °C

Not Available

Not Available

NICEATM

137 °C

Not Available

Available

OPERA

110 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

414 (3)

335

299 to 609

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

609 °C

Not Available

Not Available

NICEATM

299 °C

Not Available

Available

OPERA

335 °C

OPERA Model Report

Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

9.53e-09 (2)

9.53e-09

7.67e-11 to 1.90e-08

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.90e-08 mmHg

Not Available

Available

OPERA

7.67e-11 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

9.09 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.09

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.18e-08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.18e-08 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

67.3 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

6.89e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.54 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

4.58e-01 (1)

- - - -

days

Bioconcentration Factor

-

2.76 (2)

-

2.76

-

1.62e-01 to 5.35

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

67.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

67.3 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

3.54 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.54 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

4.58e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.58e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

2.76 (2)

2.76

1.62e-01 to 5.35

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.62e-01

Not Available

Available

OPERA

5.35

OPERA Model Report

Available

Found 4 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
1H-Isoindole-1,3(2H)-dione, 2-(3-azidopropyl)-
2-(3-Azidopropyl)-1H-isoindole-1,3(2H)-dione
88192-21-6 Active CAS-RN
2-(3-Azidopropyl)isoindole-1,3-dione
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

Imgnotfound