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Bis(benzyloxy)(diisopropylamino)phosphine
108549-23-1 | DTXSID70148584

Searched by CAS-RN: Found 1 result for '108549-23-1'.

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Intrinsic Properties

Molecular Formula: C20H28NO2P

Average Mass: 345.423 g/mol

Monoisotopic Mass: 345.185766 g/mol

Structural Identifiers

IUPAC Name: Dibenzyl N,N-dipropan-2-ylphosphoramidoite

SMILES: CC(C)N(C(C)C)P(OCC1=CC=CC=C1)OCC1=CC=CC=C1

InChI String: InChI=1S/C20H28NO2P/c1-17(2)21(18(3)4)24(22-15-19-11-7-5-8-12-19)23-16-20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3

InChIKey: ANPWLBTUUNFQIO-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/DTXSID70148584 (accessed May 25, 2018), Bis(benzyloxy)(diisopropylamino)phosphine

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

-

5.18 (5)

-

5.31

-

3.53 to 6.82

-

Water Solubility

-

6.70e-05 (3)

-

6.87e-07

-

5.53e-07 to 2.00e-04

mol/L

Density

-

9.89e-01 (1)

- - - -

g/cm^3

Flash Point

-

195 (2)

-

195

-

185 to 205

°C

Melting Point

-

43.5 (4)

-

44.6

-

-54.3 to 139

°C

Boiling Point

130 (3)

375 (4)

130

370

130

355 to 405

°C

Vapor Pressure

-

5.80e-06 (3)

-

4.88e-06

-

7.87e-07 to 1.17e-05

mmHg

Viscosity

-

43.9 (1)

- - - -

cP

LogKoa: Octanol-Air

-

10.4 (1)

- - - - -

Henry's Law

-

4.35e-06 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

5.18 (5)

5.31

3.53 to 6.82

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

5.31

Not Available

Not Available

NICEATM

3.53

Not Available

Available

ACD/Labs Consensus

5.39

Not Available

Not Available

ACD/Labs

6.82

Not Available

Not Available

OPERA

4.83

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

6.70e-05 (3)

6.87e-07

5.53e-07 to 2.00e-04

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

5.53e-07 mol/L

Not Available

Not Available

NICEATM

2.00e-04 mol/L

Not Available

Available

OPERA

6.87e-07 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

9.89e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

9.89e-01 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

195 (2)

195

185 to 205

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

185 °C

Not Available

Not Available

TEST

205 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

43.5 (4)

44.6

-54.3 to 139

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

139 °C

Not Available

Not Available

NICEATM

-54.3 °C

Not Available

Available

TEST

-7.02 °C

TEST Report

Not Available

OPERA

96.1 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental

130 (3)

130

130

Predicted

375 (4)

370

355 to 405

Experimental

Source

Result

Alfa Aesar

130 °C

Alfa Aesar

130 °C

SynQuest

130 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

405 °C

Not Available

Not Available

NICEATM

358 °C

Not Available

Available

ACD/Labs

382 °C

Not Available

Not Available

OPERA

355 °C

OPERA Model Report

Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

5.80e-06 (3)

4.88e-06

7.87e-07 to 1.17e-05

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.17e-05 mmHg

Not Available

Available

ACD/Labs

4.88e-06 mmHg

Not Available

Not Available

OPERA

7.87e-07 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

43.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

43.9 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

10.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

10.4

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

4.35e-06 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.35e-06 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

1500 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

2.31e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

6.22 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.16 (1)

- - - -

days

Bioconcentration Factor

-

518 (3)

-

121

-

68.1 to 1360

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

1500 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1500 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

2.31e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.31e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

6.22 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.22 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.16 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.16 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

518 (3)

121

68.1 to 1360

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1360

Not Available

Available

TEST

68.1

TEST Report

Not Available

OPERA

121

OPERA Model Report

Available

Found 5 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Bis(benzyloxy)(diisopropylamino)phosphine
Dibenzyl N,N-dipropan-2-ylphosphoramidoite
Phosphoramidous acid, N,N-bis(1-methylethyl)-, bis(phenylmethyl) ester
108549-23-1 Active CAS-RN
Bis-bzl-2iPr-P
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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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