Success!

Failed to copy.

3,5-Dioxa-8-aza-4-siladodecan-1-amine, N,N,8-tributyl-4-(2-(dibutylamino)ethoxy)-4-methyl-
61283-86-1 | DTXSID40210181

Searched by CAS-RN: Found 1 result for '61283-86-1'.

Image not found
Intrinsic Properties

Molecular Formula: C31H69N3O3Si

Average Mass: 559.996 g/mol

Monoisotopic Mass: 559.510820 g/mol

Structural Identifiers

IUPAC Name: N,N,8-Tributyl-4-[2-(dibutylamino)ethoxy]-4-methyl-3,5-dioxa-8-aza-4-siladodecan-1-amine

SMILES: CCCCN(CCCC)CCO[Si](C)(OCCN(CCCC)CCCC)OCCN(CCCC)CCCC

InChI String: InChI=1S/C31H69N3O3Si/c1-8-14-20-32(21-15-9-2)26-29-35-38(7,36-30-27-33(22-16-10-3)23-17-11-4)37-31-28-34(24-18-12-5)25-19-13-6/h8-31H2,1-7H3

InChIKey: PTYLYTHUSNPICR-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID40210181 (accessed June 19, 2018), 3,5-Dioxa-8-aza-4-siladodecan-1-amine, N,N,8-tributyl-4-(2-(dibutylamino)ethoxy)-4-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

-

6.70 (5)

-

7.26

-

3.76 to 10.2

-

Water Solubility

-

2.58e-05 (4)

-

1.68e-07

-

3.37e-09 to 1.03e-04

mol/L

Density

-

8.06e-01 (2)

-

8.06e-01

-

7.05e-01 to 9.08e-01

g/cm^3

Flash Point

-

248 (2)

-

248

-

201 to 294

°C

Melting Point

-

77.2 (4)

-

54.9

-

-25.9 to 225

°C

Boiling Point

-

461 (5)

-

454

-

374 to 563

°C

Surface Tension

-

31.4 (1)

- - - -

dyn/cm

Vapor Pressure

-

4.77e-08 (4)

-

9.72e-09

-

1.06e-12 to 1.72e-07

mmHg

LogKoa: Octanol-Air

-

11.7 (1)

- - - - -

Henry's Law

-

3.62e-07 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.47 (1)

- - - - -

Molar Refractivity

-

171 (1)

- - - -

cm^3

Molar Volume

-

617 (1)

- - - -

cm^3

Polarizability

-

67.7 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

6.70 (5)

7.26

3.76 to 10.2

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

7.26

Not Available

Not Available

NICEATM

3.76

Not Available

Available

ACD/Labs Consensus

7.49

Not Available

Not Available

ACD/Labs

10.2

Not Available

Not Available

OPERA

4.83

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

2.58e-05 (4)

1.68e-07

3.37e-09 to 1.03e-04

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.37e-09 mol/L

Not Available

Not Available

NICEATM

1.03e-04 mol/L

Not Available

Available

OPERA

1.48e-07 mol/L

OPERA Model Report

Available

TEST

1.88e-07 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

8.06e-01 (2)

8.06e-01

7.05e-01 to 9.08e-01

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

9.08e-01 g/cm^3

Not Available

Not Available

TEST

7.05e-01 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

248 (2)

248

201 to 294

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

294 °C

Not Available

Not Available

TEST

201 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

77.2 (4)

54.9

-25.9 to 225

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

225 °C

Not Available

Not Available

NICEATM

36.6 °C

Not Available

Available

OPERA

73.2 °C

OPERA Model Report

Available

TEST

-25.9 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

461 (5)

454

374 to 563

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

532 °C

Not Available

Not Available

NICEATM

374 °C

Not Available

Available

ACD/Labs

563 °C

Not Available

Not Available

OPERA

383 °C

OPERA Model Report

Available

TEST

454 °C

TEST Report

Not Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

31.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

31.4 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

4.77e-08 (4)

9.72e-09

1.06e-12 to 1.72e-07

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

4.58e-09 mmHg

Not Available

Available

ACD/Labs

1.06e-12 mmHg

Not Available

Not Available

OPERA

1.72e-07 mmHg

OPERA Model Report

Available

TEST

1.49e-08 mmHg

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

11.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

11.7

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

3.62e-07 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.62e-07 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.47 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.47

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

171 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

171 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

617 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

617 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

67.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

67.7 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

5510 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.30e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

11.1 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

3.05 (1)

- - - -

days

Bioconcentration Factor

-

25.4 (3)

-

12.2

-

9.28e-02 to 63.8

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

5510 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5510 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.30e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.30e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

11.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

11.1 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

3.05 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.05 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

25.4 (3)

12.2

9.28e-02 to 63.8

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

9.28e-02

Not Available

Available

OPERA

63.8

OPERA Model Report

Available

TEST

12.2

TEST Report

Not Available

Found 4 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
3,5-Dioxa-8-aza-4-siladodecan-1-amine, N,N,8-tributyl-4-(2-(dibutylamino)ethoxy)-4-methyl-
N,N,8-Tributyl-4-[2-(dibutylamino)ethoxy]-4-methyl-3,5-dioxa-8-aza-4-siladodecan-1-amine
3,5-Dioxa-8-aza-4-siladodecan-1-amine, N,N,8-tributyl-4-[2-(dibutylamino)ethoxy]-4-methyl-
61283-86-1 Active CAS-RN
Imgnotfound
Imgnotfound
Imgnotfound
Imgnotfound

National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Exposure Predictions

There is no exposure data available.

Imgnotfound

PubChem Articles

Select Term:

AND

AND

Edit the Query Before Querying ()

You have hit the max of 255 characters for this query.

PubChem Patents

Loading Image

Searched with a similarity threshold of 0.8

Imgnotfound