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Tetrapropylammonium hydroxide
4499-86-9 | DTXSID7052107

Searched by CAS-RN: Found 1 result for '4499-86-9'.

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Intrinsic Properties

Molecular Formula: C12H29NO

Average Mass: 203.37 g/mol

Monoisotopic Mass: 203.224915 g/mol

Structural Identifiers

IUPAC Name: N,N,N-Tripropylpropan-1-aminium hydroxide

SMILES: [OH-].CCC[N+](CCC)(CCC)CCC

InChI String: InChI=1S/C12H28N.H2O/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H2/q+1;/p-1

InChIKey: LPSKDVINWQNWFE-UHFFFAOYSA-M

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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/DTXSID7052107 (accessed July 19, 2018), Tetrapropylammonium hydroxide

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

-

-1.08 (4)

-

-1.01

-

-2.64 to 3.49e-01

-

Water Solubility

-

7.40e-03 (2)

-

7.40e-03

-

1.59e-03 to 1.32e-02

mol/L

Melting Point

-

90.9 (3)

-

47.2

-

29.8 to 196

°C

Boiling Point

-

199 (2)

-

199

-

184 to 215

°C

Vapor Pressure

-

2.62 (2)

-

2.62

-

1.80e-01 to 5.06

mmHg

LogKoa: Octanol-Air

-

5.08 (1)

- - - - -

Henry's Law

-

6.66e-02 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

-1.08 (4)

-1.01

-2.64 to 3.49e-01

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

3.49e-01

Not Available

Available

ACD/Labs Consensus

-1.77

Not Available

Not Available

ACD/Labs

-2.64

Not Available

Not Available

OPERA

-0.255

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

7.40e-03 (2)

7.40e-03

1.59e-03 to 1.32e-02

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.32e-02 mol/L

Not Available

Available

OPERA

1.59e-03 mol/L

OPERA Model Report

Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

90.9 (3)

47.2

29.8 to 196

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

29.8 °C

Not Available

Available

TEST

47.2 °C

TEST Report

Not Available

OPERA

196 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

199 (2)

199

184 to 215

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

184 °C

Not Available

Available

OPERA

215 °C

OPERA Model Report

Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

2.62 (2)

2.62

1.80e-01 to 5.06

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.80e-01 mmHg

Not Available

Available

OPERA

5.06 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

5.08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.08

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

6.66e-02 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.66e-02 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

1080 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.97e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

6.93 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

20.4 (1)

- - - -

days

Bioconcentration Factor

-

11.1 (2)

-

11.1

-

7.52 to 14.6

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

1080 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1080 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.97e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.97e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

6.93 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.93 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

20.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

20.4 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

11.1 (2)

11.1

7.52 to 14.6

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

7.52

Not Available

Available

OPERA

14.6

OPERA Model Report

Available

Found 16 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Tetrapropylammonium hydroxide
N,N,N-Tripropylpropan-1-aminium hydroxide
1-Propanaminium, N,N,N-tripropyl-, hydroxide (1:1)
4499-86-9 Active CAS-RN
1-Propanaminium, N,N,N-tripropyl-, hydroxide
1-Propanaminium, N,N,N-tripropyl-, hydroxide (1:1)
Ammonium, tetrapropyl-, hydroxide
Fluka 88110
hidroxido de tetrapropilamonio
Hydroxyde de tetrapropylammonium
Tetra-n-propylammonium hydroxide
Tetrapropylammonium oxide
Tetrapropylammoniumhydroxid
EINECS 224-800-6
N,N,N-Tripropyl-1-propanaminium hydroxide
66082-78-8 Deleted 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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Executive Summary

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