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N,N,N',N'-Tetramethyl-p-phenylenediamine
100-22-1 | DTXSID5026124

Searched by CAS-RN: Found 1 result for '100-22-1'.

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Wikipedia
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Intrinsic Properties

Molecular Formula: C10H16N2

Average Mass: 164.252 g/mol

Monoisotopic Mass: 164.131349 g/mol

Structural Identifiers

IUPAC Name: N1,N1,N4,N4-Tetramethylbenzene-1,4-diamine

SMILES: CN(C)C1=CC=C(C=C1)N(C)C

InChI String: InChI=1S/C10H16N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3

InChIKey: CJAOGUFAAWZWNI-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/DTXSID5026124 (accessed June 23, 2018), N,N,N',N'-Tetramethyl-p-phenylenediamine

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

-

1.76 (5)

-

2.08

-

1.08e-01 to 2.35

-

Water Solubility

-

3.32e-02 (4)

-

1.54e-02

-

3.93e-03 to 9.81e-02

mol/L

Density

-

9.76e-01 (2)

-

9.76e-01

-

0.96 to 9.93e-01

g/cm^3

Flash Point

-

101 (2)

-

101

-

96.9 to 105

°C

Melting Point

49.8 (6)

39.5 (4)

50.0

41.4

47.5 to 51.0

18.7 to 56.7

°C

Boiling Point

260 (3)

245 (5)

260

250

260

229 to 261

°C

Surface Tension

-

34.9 (2)

-

34.9

-

31.7 to 38.2

dyn/cm

Vapor Pressure

-

9.38e-02 (4)

-

8.84e-03

-

1.94e-03 to 3.56e-01

mmHg

Viscosity

-

2.47 (1)

- - - -

cP

LogKoa: Octanol-Air

-

5.84 (1)

- - - - -

Henry's Law

-

1.78e-05 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.58 (1)

- - - - -

Molar Refractivity

-

54.9 (1)

- - - -

cm^3

Molar Volume

-

165 (1)

- - - -

cm^3

Polarizability

-

21.8 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

1.76 (5)

2.08

1.08e-01 to 2.35

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.35

Not Available

Not Available

NICEATM

2.18

Not Available

Available

ACD/Labs Consensus

2.07

Not Available

Not Available

ACD/Labs

2.08

Not Available

Not Available

OPERA

1.08e-01

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

3.32e-02 (4)

1.54e-02

3.93e-03 to 9.81e-02

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.93e-03 mol/L

Not Available

Not Available

NICEATM

4.77e-03 mol/L

Not Available

Available

TEST

2.59e-02 mol/L

TEST Report

Not Available

OPERA

9.81e-02 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

9.76e-01 (2)

9.76e-01

0.96 to 9.93e-01

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

9.93e-01 g/cm^3

Not Available

Not Available

TEST

0.96 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

101 (2)

101

96.9 to 105

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

105 °C

Not Available

Not Available

TEST

96.9 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

49.8 (6)

50.0

47.5 to 51.0

Predicted

39.5 (4)

41.4

18.7 to 56.7

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

51.0 °C

Jean-Claude Bradley Open Melting Point Dataset

50.0 °C

Biosynth

49.0 °C

Merck Millipore

47.5 °C

Alfa Aesar

50.0 °C

PhysPropNCCT

51.0 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

26.5 °C

Not Available

Not Available

NICEATM

56.3 °C

Not Available

Available

TEST

18.7 °C

TEST Report

Not Available

OPERA

56.7 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental

260 (3)

260

260

Predicted

245 (5)

250

229 to 261

Experimental

Source

Result

Alfa Aesar

260 °C

Biosynth

260 °C

PhysPropNCCT

260 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

229 °C

Not Available

Not Available

NICEATM

250 °C

Not Available

Available

ACD/Labs

261 °C

Not Available

Not Available

TEST

236 °C

TEST Report

Not Available

OPERA

251 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

34.9 (2)

34.9

31.7 to 38.2

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

38.2 dyn/cm

Not Available

Not Available

TEST

31.7 dyn/cm

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

9.38e-02 (4)

8.84e-03

1.94e-03 to 3.56e-01

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.94e-03 mmHg

Not Available

Available

ACD/Labs

1.21e-02 mmHg

Not Available

Not Available

TEST

3.56e-01 mmHg

TEST Report

Not Available

OPERA

5.58e-03 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

2.47 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

2.47 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

5.84 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.84

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.78e-05 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.78e-05 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.58 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.58

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

54.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

54.9 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

165 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

165 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

21.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

21.8 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

120 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.52e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

23.8 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

3.53 (1)

- - - -

days

Bioconcentration Factor

-

34.0 (3)

-

21.2

-

5.49 to 75.3

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

120 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

120 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.52e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.52e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

23.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

23.8 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

3.53 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.53 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

34.0 (3)

21.2

5.49 to 75.3

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

75.3

Not Available

Available

TEST

21.2

TEST Report

Not Available

OPERA

5.49

OPERA Model Report

Available

Found 29 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
N,N,N',N'-Tetramethyl-p-phenylenediamine
N1,N1,N4,N4-Tetramethylbenzene-1,4-diamine
1,4-Benzenediamine, N1,N1,N4,N4-tetramethyl-
100-22-1 Active CAS-RN
1,4-Benzenediamine, N,N,N',N'-tetramethyl-
1,4-Benzenediamine, N,N,N',N'-tetramethyl
1,4-Benzenediamine, N1,N1,N4,N4-tetramethyl-
1,4-Bis(dimethylamino)benzene
4-(Dimethylamino)-N,N-dimethylaniline
N,N,N',N'-Tetramethyl-1,4-benzenediamine
N,N,N',N'-Tetramethyl-1,4-diaminobenzene
N,N,N',N'-Tetramethyl-1,4-phenylenediamine
N,N,N',N'-Tetramethyl-p-benzenediamine
N,N,N',N'-Tetramethyl-p-phenylendiamin
N,N,N',N'-tetrametil-p-fenilendiamina
N,N-Dimethyl-p-(dimethylamino)aniline
p-(Dimethylamino)-N,N-dimethylaniline
p-Bis(dimethylamino)benzene
PHENYLENE-1,4-DIAMINE, N,N,N',N'-TETRAMETHYL-
p-Phenylenediamine, N,N,N',N'-tetramethyl-
Reagents, Wurster's
Tetramethyl-p-phenylenediamine
Wurster's reagent
Benzene, 1,4-bis(dimethylamino)-
EINECS 202-831-6
N,N,N,N-Tetramethyl-1,4-benzenediamine
Wurster's Blue
N,N,N',N'-Tetramethyl-p-fenylendiamin
UNII-P4P3AC32ZB FDA Registry Number
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

5209th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

1.75e-07

9.68e-06

Ages 12-19

1.27e-07

7.78e-06

Ages 20-65

1.23e-07

6.06e-06

Ages 65+

8.59e-08

5.43e-06

BMI > 30

9.23e-08

9.04e-06

BMI < 30

1.39e-07

1.13e-05

Repro. Age Females

1.08e-07

6.90e-06

Females

1.15e-07

9.15e-06

Males

1.11e-07

6.31e-06

Total

1.23e-07

6.89e-06

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