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N-methyl-alpha-phenylbenzeneacetamide
954-21-2 | DTXSID4042208

Searched by CAS-RN: Found 1 result for '954-21-2'.

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Intrinsic Properties

Molecular Formula: C15H15NO

Average Mass: 225.291 g/mol

Monoisotopic Mass: 225.115364 g/mol

Structural Identifiers

IUPAC Name: N-Methyl-2,2-diphenylacetamide

SMILES: CNC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1

InChI String: InChI=1S/C15H15NO/c1-16-15(17)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,16,17)

InChIKey: DIZKGJLRHOCMTP-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/DTXSID4042208 (accessed July 23, 2018), N-methyl-alpha-phenylbenzeneacetamide

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

No Quality Control Notes.

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

2.17 (5)

-

2.37

-

1.37 to 2.65

-

Water Solubility

-

3.16e-03 (4)

-

1.55e-03

-

7.87e-04 to 8.77e-03

mol/L

Density

-

1.07 (2)

-

1.07

-

1.07 to 1.08

g/cm^3

Flash Point

-

215 (2)

-

215

-

174 to 256

°C

Melting Point

-

126 (4)

-

131

-

94.3 to 147

°C

Boiling Point

-

365 (5)

-

343

-

320 to 424

°C

Surface Tension

-

41.6 (1)

- - - -

dyn/cm

Thermal Conductivity

-

148 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

7.63e-07 (4)

-

3.42e-07

-

2.06e-07 to 2.16e-06

mmHg

Viscosity

-

50.5 (1)

- - - -

cP

LogKoa: Octanol-Air

-

10.1 (1)

- - - - -

Henry's Law

-

2.68e-10 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.57 (1)

- - - - -

Molar Refractivity

-

68.5 (1)

- - - -

cm^3

Molar Volume

-

209 (1)

- - - -

cm^3

Polarizability

-

27.1 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

2.17 (5)

2.37

1.37 to 2.65

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.65

Not Available

Not Available

NICEATM

1.37

Not Available

Available

ACD/Labs Consensus

2.37

Not Available

Not Available

ACD/Labs

2.08

Not Available

Not Available

OPERA

2.39

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

3.16e-03 (4)

1.55e-03

7.87e-04 to 8.77e-03

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

7.87e-04 mol/L

Not Available

Not Available

NICEATM

8.77e-03 mol/L

Not Available

Available

OPERA

1.68e-03 mol/L

OPERA Model Report

Available

TEST

1.41e-03 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.07 (2)

1.07

1.07 to 1.08

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.08 g/cm^3

Not Available

Not Available

TEST

1.07 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

215 (2)

215

174 to 256

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

256 °C

Not Available

Not Available

TEST

174 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

126 (4)

131

94.3 to 147

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

147 °C

Not Available

Not Available

NICEATM

121 °C

Not Available

Available

OPERA

141 °C

OPERA Model Report

Available

TEST

94.3 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

365 (5)

343

320 to 424

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

395 °C

Not Available

Not Available

NICEATM

341 °C

Not Available

Available

ACD/Labs

424 °C

Not Available

Not Available

OPERA

320 °C

OPERA Model Report

Available

TEST

343 °C

TEST Report

Not Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

41.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

41.6 dyn/cm

Not Available

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

148 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

148 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

7.63e-07 (4)

3.42e-07

2.06e-07 to 2.16e-06

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

4.27e-07 mmHg

Not Available

Available

ACD/Labs

2.06e-07 mmHg

Not Available

Not Available

OPERA

2.16e-06 mmHg

OPERA Model Report

Available

TEST

2.56e-07 mmHg

TEST Report

Not Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

50.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

50.5 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

10.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

10.1

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

2.68e-10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.68e-10 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

68.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

68.5 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

209 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

209 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

27.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

27.1 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

142 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.45e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.09 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.28e-01 (1)

- - - -

days

Bioconcentration Factor

-

19.7 (3)

-

20.5

-

2.03e-01 to 38.3

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

142 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

142 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.45e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.45e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.09 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.09 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.28e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.28e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

19.7 (3)

20.5

2.03e-01 to 38.3

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.03e-01

Not Available

Available

TEST

20.5

TEST Report

Not Available

OPERA

38.3

OPERA Model Report

Available

Found 9 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
N-methyl-alpha-phenylbenzeneacetamide
N-Methyl-2,2-diphenylacetamide
Benzeneacetamide, N-methyl-alpha-phenyl-
954-21-2 Active CAS-RN
N-Methyl-2,2-diphenylacetamide
Nordiphenamid
Nordiphenamide
NSC 401956
UNII-VNV5HO1ZVI FDA Registry Number
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

6409th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

9.86e-08

5.37e-06

Ages 12-19

7.07e-08

4.57e-06

Ages 20-65

9.60e-08

5.48e-06

Ages 65+

6.85e-08

4.03e-06

BMI > 30

6.33e-08

4.05e-06

BMI < 30

8.08e-08

5.18e-06

Repro. Age Females

7.67e-08

6.60e-06

Females

7.77e-08

4.08e-06

Males

5.01e-08

4.23e-06

Total

7.55e-08

5.24e-06

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Executive Summary

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