Success!

Failed to copy.

Succinanilic acid
102-14-7 | DTXSID20144511

Searched by CAS-RN: Found 1 result for '102-14-7'.

Image not found
Intrinsic Properties

Molecular Formula: C10H11NO3

Average Mass: 193.202 g/mol

Monoisotopic Mass: 193.073893 g/mol

Structural Identifiers

IUPAC Name: 4-Anilino-4-oxobutanoic acid

SMILES: OC(=O)CCC(=O)NC1=CC=CC=C1

InChI String: InChI=1S/C10H11NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)

InChIKey: KTFGFGGLCMGYTP-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID20144511 (accessed June 23, 2018), Succinanilic 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

-

6.72e-01 (5)

-

0.85

-

9.82e-02 to 8.89e-01

-

Water Solubility

-

3.32e-02 (4)

-

3.15e-02

-

7.93e-03 to 6.20e-02

mol/L

Density

-

1.25 (2)

-

1.25

-

1.22 to 1.29

g/cm^3

Flash Point

-

214 (2)

-

214

-

194 to 233

°C

Melting Point

149 (2)

161 (4)

149

163

149

153 to 166

°C

Boiling Point

-

371 (5)

-

363

-

273 to 462

°C

Surface Tension

-

56.9 (1)

- - - -

dyn/cm

Thermal Conductivity

-

160 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

2.66e-07 (4)

-

2.09e-07

-

2.41e-09 to 6.46e-07

mmHg

Viscosity

-

42.4 (1)

- - - -

cP

LogKoa: Octanol-Air

-

8.17 (1)

- - - - -

Henry's Law

-

4.26e-10 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.60 (1)

- - - - -

Molar Refractivity

-

51.4 (1)

- - - -

cm^3

Molar Volume

-

150 (1)

- - - -

cm^3

Polarizability

-

20.4 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

6.72e-01 (5)

0.85

9.82e-02 to 8.89e-01

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

0.85

Not Available

Not Available

NICEATM

9.82e-02

Not Available

Available

ACD/Labs Consensus

8.75e-01

Not Available

Not Available

ACD/Labs

8.89e-01

Not Available

Not Available

OPERA

6.46e-01

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

3.32e-02 (4)

3.15e-02

7.93e-03 to 6.20e-02

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.65e-02 mol/L

Not Available

Not Available

NICEATM

6.20e-02 mol/L

Not Available

Available

OPERA

7.93e-03 mol/L

OPERA Model Report

Available

TEST

1.64e-02 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.25 (2)

1.25

1.22 to 1.29

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.29 g/cm^3

Not Available

Not Available

TEST

1.22 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

214 (2)

214

194 to 233

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

233 °C

Not Available

Not Available

TEST

194 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

149 (2)

149

149

Predicted

161 (4)

163

153 to 166

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

149 °C

PhysPropNCCT

149 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

162 °C

Not Available

Not Available

NICEATM

166 °C

Not Available

Available

OPERA

164 °C

OPERA Model Report

Available

TEST

153 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

371 (5)

363

273 to 462

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

400 °C

Not Available

Not Available

NICEATM

363 °C

Not Available

Available

ACD/Labs

462 °C

Not Available

Not Available

OPERA

273 °C

OPERA Model Report

Available

TEST

355 °C

TEST Report

Not Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

56.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

56.9 dyn/cm

Not Available

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

160 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

160 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

2.66e-07 (4)

2.09e-07

2.41e-09 to 6.46e-07

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.00e-08 mmHg

Not Available

Available

ACD/Labs

2.41e-09 mmHg

Not Available

Not Available

OPERA

6.46e-07 mmHg

OPERA Model Report

Available

TEST

4.07e-07 mmHg

TEST Report

Not Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

42.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

42.4 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

8.17 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.17

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

4.26e-10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.26e-10 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.60 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.60

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

51.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

51.4 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

150 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

150 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

20.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

20.4 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

82.3 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

7.98e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.55 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.72e-01 (1)

- - - -

days

Bioconcentration Factor

-

2.99 (3)

-

2.98

-

1.35 to 4.63

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

82.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

82.3 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

7.98e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.98e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.55 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.55 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.72e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.72e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

2.99 (3)

2.98

1.35 to 4.63

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

4.63

Not Available

Available

OPERA

2.98

OPERA Model Report

Available

TEST

1.35

TEST Report

Not Available

Found 13 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Succinanilic acid
4-Anilino-4-oxobutanoic acid
Butanoic acid, 4-oxo-4-(phenylamino)-
102-14-7 Active CAS-RN
4-12-00-00468 Beilstein Registry Number
BRN 2806264
4-Oxo-4-(phenylamino)butanoic acid
N-Phenylbutanedioic acid monoamide
N-Phenylsuccinamic acid
Succinic acid monoanilide
Succinic monoanilide
NSC 56471
UNII-L4V0G8222E FDA Registry Number
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