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Ethylamine, N,N-bis(trimethylsilyl)methyl)-
17988-70-4 | DTXSID80170876

Searched by CAS-RN: Found 1 result for '17988-70-4'.

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Intrinsic Properties

Molecular Formula: C10H27NSi2

Average Mass: 217.503 g/mol

Monoisotopic Mass: 217.168203 g/mol

Structural Identifiers

IUPAC Name: N,N-Bis[(trimethylsilyl)methyl]ethanamine

SMILES: CCN(C[Si](C)(C)C)C[Si](C)(C)C

InChI String: InChI=1S/C10H27NSi2/c1-8-11(9-12(2,3)4)10-13(5,6)7/h8-10H2,1-7H3

InChIKey: AOPUIYWQICJKPO-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/DTXSID80170876 (accessed June 21, 2018), Ethylamine, N,N-bis(trimethylsilyl)methyl)-

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

-

4.15 (5)

-

4.30

-

3.02 to 4.95

-

Water Solubility

-

2.58e-03 (3)

-

3.52e-04

-

1.13e-04 to 7.29e-03

mol/L

Density

-

7.64e-01 (2)

-

7.64e-01

-

7.28e-01 to 7.99e-01

g/cm^3

Flash Point

-

55.8 (2)

-

55.8

-

50.4 to 61.2

°C

Melting Point

-

-33.9 (4)

-

-34.1

-

-42.1 to -25.4

°C

Boiling Point

-

189 (5)

-

178

-

177 to 219

°C

Surface Tension

-

19.7 (1)

- - - -

dyn/cm

Vapor Pressure

-

6.00 (4)

-

3.18

-

3.50e-01 to 17.3

mmHg

LogKoa: Octanol-Air

-

4.42 (1)

- - - - -

Henry's Law

-

1.54 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.42 (1)

- - - - -

Molar Refractivity

-

69.5 (1)

- - - -

cm^3

Molar Volume

-

272 (1)

- - - -

cm^3

Polarizability

-

27.6 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

4.15 (5)

4.30

3.02 to 4.95

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.30

Not Available

Not Available

NICEATM

3.02

Not Available

Available

ACD/Labs Consensus

4.95

Not Available

Not Available

ACD/Labs

3.69

Not Available

Not Available

OPERA

4.80

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

2.58e-03 (3)

3.52e-04

1.13e-04 to 7.29e-03

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.52e-04 mol/L

Not Available

Not Available

NICEATM

7.29e-03 mol/L

Not Available

Available

OPERA

1.13e-04 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

7.64e-01 (2)

7.64e-01

7.28e-01 to 7.99e-01

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

7.99e-01 g/cm^3

Not Available

Not Available

TEST

7.28e-01 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

55.8 (2)

55.8

50.4 to 61.2

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

61.2 °C

Not Available

Not Available

TEST

50.4 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

-33.9 (4)

-34.1

-42.1 to -25.4

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-25.4 °C

Not Available

Not Available

NICEATM

-41.7 °C

Not Available

Available

OPERA

-42.1 °C

OPERA Model Report

Available

TEST

-26.5 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

189 (5)

178

177 to 219

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

177 °C

Not Available

Not Available

NICEATM

195 °C

Not Available

Available

ACD/Labs

178 °C

Not Available

Not Available

OPERA

219 °C

OPERA Model Report

Available

TEST

177 °C

TEST Report

Not Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

19.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

19.7 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

6.00 (4)

3.18

3.50e-01 to 17.3

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

3.50e-01 mmHg

Not Available

Available

ACD/Labs

1.04 mmHg

Not Available

Not Available

OPERA

17.3 mmHg

OPERA Model Report

Available

TEST

5.33 mmHg

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

4.42 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.42

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.54 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.54 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.42 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.42

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

69.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

69.5 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

272 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

272 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

27.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

27.6 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

891 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

2.22e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

273 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

4.51 (1)

- - - -

days

Bioconcentration Factor

-

105 (2)

-

105

-

56.8 to 153

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

891 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

891 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

2.22e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.22e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

273 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

273 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

4.51 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.51 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

105 (2)

105

56.8 to 153

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

56.8

Not Available

Available

OPERA

153

OPERA Model Report

Available

Found 4 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Ethylamine, N,N-bis(trimethylsilyl)methyl)-
N,N-Bis[(trimethylsilyl)methyl]ethanamine
Ethanamine, N,N-bis[(trimethylsilyl)methyl]-
17988-70-4 Active CAS-RN
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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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