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1-Isopropylhydrazine
2257-52-5 | DTXSID50177094

Searched by CAS-RN: Found 1 result for '2257-52-5'.

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Intrinsic Properties

Molecular Formula: C3H10N2

Average Mass: 74.127 g/mol

Monoisotopic Mass: 74.084398 g/mol

Structural Identifiers

IUPAC Name: (Propan-2-yl)hydrazine

SMILES: CC(C)NN

InChI String: InChI=1S/C3H10N2/c1-3(2)5-4/h3,5H,4H2,1-2H3

InChIKey: KJAQRHMKLVGSCG-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/DTXSID50177094 (accessed July 16, 2018), 1-Isopropylhydrazine

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

-

-0.252 (5)

-

-0.221

-

-0.513 to -0.0900

-

Water Solubility

-

13.8 (4)

-

6.41

-

2.17 to 40.2

mol/L

Density

-

9.31e-01 (1)

- - - -

g/cm^3

Flash Point

-

37.8 (2)

-

37.8

-

24.8 to 50.8

°C

Melting Point

-

-16.7 (4)

-

-12.0

-

-43.7 to 8.06e-01

°C

Boiling Point

-

105 (5)

-

98.8

-

87.5 to 124

°C

Vapor Pressure

-

9.21 (4)

-

10.1

-

1.22 to 15.5

mmHg

LogKoa: Octanol-Air

-

5.69 (1)

- - - - -

Henry's Law

-

1.03e-07 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

-0.252 (5)

-0.221

-0.513 to -0.0900

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-0.0900

Not Available

Not Available

NICEATM

-0.221

Not Available

Available

ACD/Labs Consensus

-0.266

Not Available

Not Available

ACD/Labs

-0.171

Not Available

Not Available

OPERA

-0.513

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

13.8 (4)

6.41

2.17 to 40.2

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.17 mol/L

Not Available

Not Available

NICEATM

40.2 mol/L

Not Available

Available

OPERA

10.5 mol/L

OPERA Model Report

Available

TEST

2.28 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

9.31e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

9.31e-01 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

37.8 (2)

37.8

24.8 to 50.8

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

24.8 °C

Not Available

Not Available

TEST

50.8 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

-16.7 (4)

-12.0

-43.7 to 8.06e-01

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-43.7 °C

Not Available

Not Available

NICEATM

-24.6 °C

Not Available

Available

OPERA

5.79e-01 °C

OPERA Model Report

Available

TEST

8.06e-01 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

105 (5)

98.8

87.5 to 124

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

94.2 °C

Not Available

Not Available

NICEATM

87.5 °C

Not Available

Available

ACD/Labs

120 °C

Not Available

Not Available

OPERA

98.8 °C

OPERA Model Report

Available

TEST

124 °C

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

9.21 (4)

10.1

1.22 to 15.5

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

11.5 mmHg

Not Available

Available

ACD/Labs

15.5 mmHg

Not Available

Not Available

OPERA

1.22 mmHg

OPERA Model Report

Available

TEST

8.65 mmHg

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

5.69 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.69

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.03e-07 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.03e-07 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

7.52 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.83e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.11 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

8.09e-02 (1)

- - - -

days

Bioconcentration Factor

-

1.36 (2)

-

1.36

-

1.23 to 1.48

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

7.52 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.52 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.83e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.83e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.11 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

8.09e-02 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.09e-02 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1.36 (2)

1.36

1.23 to 1.48

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.23

Not Available

Available

OPERA

1.48

OPERA Model Report

Available

Found 4 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
1-Isopropylhydrazine
(Propan-2-yl)hydrazine
Hydrazine, (1-methylethyl)-
2257-52-5 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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Executive Summary

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