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2-Dimethylaminopyridine
5683-33-0 | DTXSID9022231

Searched by CAS-RN: Found 1 result for '5683-33-0'.

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Intrinsic Properties

Molecular Formula: C7H10N2

Average Mass: 122.171 g/mol

Monoisotopic Mass: 122.084398 g/mol

Structural Identifiers

IUPAC Name: N,N-Dimethylpyridin-2-amine

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

InChI String: InChI=1S/C7H10N2/c1-9(2)7-5-3-4-6-8-7/h3-6H,1-2H3

InChIKey: PSHKMPUSSFXUIA-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/DTXSID9022231 (accessed July 19, 2018), 2-Dimethylaminopyridine

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

1.65 (2)

1.38 (5)

1.65

1.40

1.65

1.08 to 1.62

-

Water Solubility

-

4.13e-01 (4)

-

1.11e-01

-

3.14e-02 to 1.40

mol/L

Density

-

1.01 (2)

-

1.01

-

1.00 to 1.01

g/cm^3

Flash Point

-

73.9 (2)

-

73.9

-

72.8 to 75.0

°C

Melting Point

182 (2)

63.2 (4)

182

64.6

182

-6.52 to 130

°C

Boiling Point

192 (4)

196 (5)

191

196

191 to 196

179 to 215

°C

Surface Tension

-

37.2 (2)

-

37.2

-

34.3 to 40.0

dyn/cm

Thermal Conductivity

-

145 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

4.57e-01 (4)

-

3.23e-01

-

5.87e-02 to 1.12

mmHg

Viscosity

-

1.63 (1)

- - - -

cP

LogKoa: Octanol-Air

-

4.45 (1)

- - - - -

Henry's Law

-

4.83e-06 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.55 (1)

- - - - -

Molar Refractivity

-

38.7 (1)

- - - -

cm^3

Molar Volume

-

121 (1)

- - - -

cm^3

Polarizability

-

15.3 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

1.65 (2)

1.65

1.65

Predicted

1.38 (5)

1.40

1.08 to 1.62

Experimental

Source

Result

Egon Willighagen

1.65

PhysPropNCCT

1.65

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.62

Not Available

Not Available

NICEATM

1.08

Not Available

Available

ACD/Labs Consensus

1.40

Not Available

Not Available

ACD/Labs

1.41

Not Available

Not Available

OPERA

1.38

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

4.13e-01 (4)

1.11e-01

3.14e-02 to 1.40

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.14e-02 mol/L

Not Available

Not Available

NICEATM

8.34e-02 mol/L

Not Available

Available

TEST

1.39e-01 mol/L

TEST Report

Not Available

OPERA

1.40 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.01 (2)

1.01

1.00 to 1.01

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.01 g/cm^3

Not Available

Not Available

TEST

1.00 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

73.9 (2)

73.9

72.8 to 75.0

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

75.0 °C

Not Available

Not Available

TEST

72.8 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

182 (2)

182

182

Predicted

63.2 (4)

64.6

-6.52 to 130

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

182 °C

PhysPropNCCT

182 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

8.46 °C

Not Available

Not Available

NICEATM

121 °C

Not Available

Available

TEST

-6.52 °C

TEST Report

Not Available

OPERA

130 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental

192 (4)

191

191 to 196

Predicted

196 (5)

196

179 to 215

Experimental

Source

Result

Alfa Aesar

191 °C

Alfa Aesar

191 °C

Biosynth

191 °C

PhysPropNCCT

196 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

179 °C

Not Available

Not Available

NICEATM

215 °C

Not Available

Available

ACD/Labs

196 °C

Not Available

Not Available

TEST

194 °C

TEST Report

Not Available

OPERA

197 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

37.2 (2)

37.2

34.3 to 40.0

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

40.0 dyn/cm

Not Available

Not Available

TEST

34.3 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

145 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

145 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

4.57e-01 (4)

3.23e-01

5.87e-02 to 1.12

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5.87e-02 mmHg

Not Available

Available

ACD/Labs

4.08e-01 mmHg

Not Available

Not Available

TEST

1.12 mmHg

TEST Report

Not Available

OPERA

2.38e-01 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

1.63 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.63 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

4.45 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.45

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

4.83e-06 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.83e-06 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.55 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.55

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

38.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

38.7 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

121 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

121 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

15.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

15.3 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

72.6 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

4.09e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.98 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

2.84e-01 (1)

- - - -

days

Bioconcentration Factor

-

2610 (3)

-

9.04

-

2.77 to 7830

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

72.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

72.6 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

4.09e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.09e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.98 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.98 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

2.84e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.84e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

2610 (3)

9.04

2.77 to 7830

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

7830

Not Available

Available

TEST

9.04

TEST Report

Not Available

OPERA

2.77

OPERA Model Report

Available

Found 11 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
2-Dimethylaminopyridine
N,N-Dimethylpyridin-2-amine
2-Pyridinamine, N,N-dimethyl-
5683-33-0 Active CAS-RN
5-22-08-00287 Beilstein Registry Number
BRN 0110353
Dimethylamino-2 pyridine
2-Dimethylaminopyridin
2-Dimethylaminopyridine cobalt complex
EINECS 227-147-5
NSC 93902
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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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