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1,1'-Methylenebis(4-methylpiperidine)
63963-56-4 | DTXSID50213805

Searched by CAS-RN: Found 1 result for '63963-56-4'.

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Intrinsic Properties

Molecular Formula: C13H26N2

Average Mass: 210.365 g/mol

Monoisotopic Mass: 210.209599 g/mol

Structural Identifiers

IUPAC Name: 1,1'-Methylenebis(4-methylpiperidine)

SMILES: CC1CCN(CN2CCC(C)CC2)CC1

InChI String: InChI=1S/C13H26N2/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h12-13H,3-11H2,1-2H3

InChIKey: SZEMDRHYEPQKPT-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/DTXSID50213805 (accessed May 21, 2018), 1,1'-Methylenebis(4-methylpiperidine)

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

-

2.93 (5)

-

2.95

-

2.18 to 3.56

-

Water Solubility

-

1.09e-02 (4)

-

1.12e-02

-

5.47e-03 to 1.57e-02

mol/L

Density

-

9.24e-01 (2)

-

9.24e-01

-

0.92 to 9.28e-01

g/cm^3

Flash Point

-

107 (2)

-

107

-

101 to 114

°C

Melting Point

-

38.9 (4)

-

30.6

-

20.1 to 74.2

°C

Boiling Point

-

271 (5)

-

274

-

260 to 281

°C

Surface Tension

-

30.1 (2)

-

30.1

-

29.0 to 31.2

dyn/cm

Thermal Conductivity

-

125 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

9.67e-03 (4)

-

7.27e-03

-

9.56e-05 to 2.41e-02

mmHg

Viscosity

-

6.38 (1)

- - - -

cP

LogKoa: Octanol-Air

-

6.91 (1)

- - - - -

Henry's Law

-

9.37e-05 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.48 (1)

- - - - -

Molar Refractivity

-

65.4 (1)

- - - -

cm^3

Molar Volume

-

229 (1)

- - - -

cm^3

Polarizability

-

25.9 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

2.93 (5)

2.95

2.18 to 3.56

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.80

Not Available

Not Available

NICEATM

2.18

Not Available

Available

ACD/Labs Consensus

3.19

Not Available

Not Available

ACD/Labs

3.56

Not Available

Not Available

OPERA

2.95

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

1.09e-02 (4)

1.12e-02

5.47e-03 to 1.57e-02

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

7.58e-03 mol/L

Not Available

Not Available

NICEATM

5.47e-03 mol/L

Not Available

Available

OPERA

1.48e-02 mol/L

OPERA Model Report

Available

TEST

1.57e-02 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

9.24e-01 (2)

9.24e-01

0.92 to 9.28e-01

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

0.92 g/cm^3

Not Available

Not Available

TEST

9.28e-01 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

107 (2)

107

101 to 114

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

101 °C

Not Available

Not Available

TEST

114 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

38.9 (4)

30.6

20.1 to 74.2

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

74.2 °C

Not Available

Not Available

NICEATM

20.1 °C

Not Available

Available

OPERA

33.4 °C

OPERA Model Report

Available

TEST

27.7 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

271 (5)

274

260 to 281

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

281 °C

Not Available

Not Available

NICEATM

274 °C

Not Available

Available

ACD/Labs

260 °C

Not Available

Not Available

OPERA

276 °C

OPERA Model Report

Available

TEST

266 °C

TEST Report

Not Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

30.1 (2)

30.1

29.0 to 31.2

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

31.2 dyn/cm

Not Available

Not Available

TEST

29.0 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

125 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

125 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

9.67e-03 (4)

7.27e-03

9.56e-05 to 2.41e-02

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

9.56e-05 mmHg

Not Available

Available

ACD/Labs

1.26e-02 mmHg

Not Available

Not Available

OPERA

2.41e-02 mmHg

OPERA Model Report

Available

TEST

1.94e-03 mmHg

TEST Report

Not Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

6.38 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

6.38 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

6.91 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.91

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

9.37e-05 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.37e-05 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.48 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.48

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

65.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

65.4 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

229 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

229 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

25.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

25.9 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

1120 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

2.64e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

8.59 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

21.0 (1)

- - - -

days

Bioconcentration Factor

-

21.6 (3)

-

22.6

-

15.1 to 27.1

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

1120 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1120 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

2.64e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.64e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

8.59 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.59 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

21.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

21.0 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

21.6 (3)

22.6

15.1 to 27.1

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

15.1

Not Available

Available

OPERA

22.6

OPERA Model Report

Available

TEST

27.1

TEST Report

Not Available

Found 4 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
1,1'-Methylenebis(4-methylpiperidine)
Piperidine, 1,1'-methylenebis[4-methyl-
63963-56-4 Active CAS-RN
EINECS 264-583-5
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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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