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Acetamide, 2-(hydroxyimino)-N-phenyl-
1769-41-1 | DTXSID0061957

Searched by CAS-RN: Found 1 result for '1769-41-1'.

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Intrinsic Properties

Molecular Formula: C8H8N2O2

Average Mass: 164.164 g/mol

Monoisotopic Mass: 164.058578 g/mol

Structural Identifiers

IUPAC Name: 2-(Hydroxyimino)-N-phenylacetamide

SMILES: ON=CC(=O)NC1=CC=CC=C1

InChI String: InChI=1S/C8H8N2O2/c11-8(6-9-12)10-7-4-2-1-3-5-7/h1-6,12H,(H,10,11)

InChIKey: UFNDNNCDEFJCHU-UHFFFAOYSA-N

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Structural Skeleton Full Structure

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Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID0061957 (accessed May 25, 2018), Acetamide, 2-(hydroxyimino)-N-phenyl-

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

SRS/ChemID matched; SRS trust index 3

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

1.27 (5)

-

1.29

-

9.05e-01 to 1.67

-

Water Solubility

-

2.20e-02 (3)

-

1.49e-02

-

1.23e-02 to 3.86e-02

mol/L

Density

-

1.16 (2)

-

1.16

-

1.11 to 1.20

g/cm^3

Flash Point

-

131 (2)

-

131

-

99.7 to 161

°C

Melting Point

-

138 (3)

-

141

-

130 to 144

°C

Boiling Point

-

308 (5)

-

309

-

231 to 375

°C

Surface Tension

-

47.6 (1)

- - - -

dyn/cm

Thermal Conductivity

-

155 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

2.56e-05 (3)

-

4.52e-06

-

1.24e-06 to 7.11e-05

mmHg

LogKoa: Octanol-Air

-

8.51 (1)

- - - - -

Henry's Law

-

1.96e-09 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.57 (1)

- - - - -

Molar Refractivity

-

44.7 (1)

- - - -

cm^3

Molar Volume

-

137 (1)

- - - -

cm^3

Polarizability

-

17.7 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

1.27 (5)

1.29

9.05e-01 to 1.67

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.67

Not Available

Not Available

NICEATM

1.21

Not Available

Available

ACD/Labs Consensus

1.29

Not Available

Not Available

ACD/Labs

1.29

Not Available

Not Available

OPERA

9.05e-01

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

2.20e-02 (3)

1.49e-02

1.23e-02 to 3.86e-02

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.49e-02 mol/L

Not Available

Not Available

NICEATM

3.86e-02 mol/L

Not Available

Available

OPERA

1.23e-02 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.16 (2)

1.16

1.11 to 1.20

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.20 g/cm^3

Not Available

Not Available

TEST

1.11 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

131 (2)

131

99.7 to 161

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

161 °C

Not Available

Not Available

TEST

99.7 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

138 (3)

141

130 to 144

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

130 °C

Not Available

Not Available

NICEATM

141 °C

Not Available

Available

OPERA

144 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

308 (5)

309

231 to 375

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

375 °C

Not Available

Not Available

NICEATM

280 °C

Not Available

Available

ACD/Labs

343 °C

Not Available

Not Available

TEST

231 °C

TEST Report

Not Available

OPERA

309 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

47.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

47.6 dyn/cm

Not Available

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

155 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

155 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

2.56e-05 (3)

4.52e-06

1.24e-06 to 7.11e-05

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.24e-06 mmHg

Not Available

Available

ACD/Labs

7.11e-05 mmHg

Not Available

Not Available

OPERA

4.52e-06 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

8.51 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.51

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.96e-09 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.96e-09 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.57 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.57

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

44.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

44.7 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

137 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

137 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

17.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

17.7 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

156 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.14e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.07 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.25e-01 (1)

- - - -

days

Bioconcentration Factor

-

4.60 (2)

-

4.60

-

4.23 to 4.96

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

156 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

156 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.14e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.14e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.07 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.07 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.25e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.25e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

4.60 (2)

4.60

4.23 to 4.96

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

4.96

Not Available

Available

OPERA

4.23

OPERA Model Report

Available

Found 11 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Acetamide, 2-(hydroxyimino)-N-phenyl-
2-(Hydroxyimino)-N-phenylacetamide
1769-41-1 Active CAS-RN
EINECS 217-190-8
Glyoxanilide oxime
Glyoxylanilide, oxime
Glyoxylanilide 2-oxime
Isonitrosoacetanilide
2-Isonitrosoacetanilide
Isonitrosoacetylaniline
NSC 29556
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Exposure Predictions

There is no exposure data available.

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Executive Summary

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