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Norethandrolone
52-78-8 | DTXSID0023379

Searched by CAS-RN: Found 1 result for '52-78-8'.

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Intrinsic Properties

Molecular Formula: C20H30O2

Average Mass: 302.458 g/mol

Monoisotopic Mass: 302.224580 g/mol

Structural Identifiers

IUPAC Name: (17alpha)-17-Hydroxy-19-norpregn-4-en-3-one

SMILES: CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C

InChI String: InChI=1S/C20H30O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h12,15-18,22H,3-11H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1

InChIKey: ZDHCJEIGTNNEMY-XGXHKTLJSA-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/DTXSID0023379 (accessed July 21, 2018), Norethandrolone

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

-

3.66 (5)

-

3.75

-

3.29 to 4.07

-

Water Solubility

-

6.10e-05 (4)

-

5.39e-05

-

2.74e-05 to 1.09e-04

mol/L

Density

-

1.11 (2)

-

1.11

-

1.10 to 1.11

g/cm^3

Flash Point

-

199 (2)

-

199

-

191 to 207

°C

Melting Point

141 (1)

153 (4)

-

152

141

144 to 165

°C

Boiling Point

-

381 (5)

-

379

-

312 to 447

°C

Surface Tension

-

43.8 (2)

-

43.8

-

43.6 to 44.0

dyn/cm

Vapor Pressure

-

9.53e-08 (4)

-

9.49e-08

-

7.11e-10 to 1.91e-07

mmHg

LogKoa: Octanol-Air

-

11.2 (1)

- - - - -

Henry's Law

-

4.74e-09 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.56 (1)

- - - - -

Molar Refractivity

-

87.7 (1)

- - - -

cm^3

Molar Volume

-

273 (1)

- - - -

cm^3

Polarizability

-

34.8 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

3.66 (5)

3.75

3.29 to 4.07

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.76

Not Available

Not Available

NICEATM

3.75

Not Available

Available

ACD/Labs Consensus

3.45

Not Available

Not Available

ACD/Labs

4.07

Not Available

Not Available

OPERA

3.29

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

6.10e-05 (4)

5.39e-05

2.74e-05 to 1.09e-04

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

7.81e-05 mol/L

Not Available

Not Available

NICEATM

2.97e-05 mol/L

Not Available

Available

OPERA

2.74e-05 mol/L

OPERA Model Report

Available

TEST

1.09e-04 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.11 (2)

1.11

1.10 to 1.11

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.11 g/cm^3

Not Available

Not Available

TEST

1.10 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

199 (2)

199

191 to 207

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

191 °C

Not Available

Not Available

TEST

207 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

141 (1)

-

141

Predicted

153 (4)

152

144 to 165

Experimental

Source

Result

PhysPropNCCT

141 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

150 °C

Not Available

Not Available

NICEATM

165 °C

Not Available

Available

TEST

154 °C

TEST Report

Not Available

OPERA

144 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

381 (5)

379

312 to 447

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

396 °C

Not Available

Not Available

NICEATM

379 °C

Not Available

Available

ACD/Labs

447 °C

Not Available

Not Available

TEST

369 °C

TEST Report

Not Available

OPERA

312 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

43.8 (2)

43.8

43.6 to 44.0

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

44.0 dyn/cm

Not Available

Not Available

TEST

43.6 dyn/cm

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

9.53e-08 (4)

9.49e-08

7.11e-10 to 1.91e-07

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.58e-07 mmHg

Not Available

Available

ACD/Labs

7.11e-10 mmHg

Not Available

Not Available

TEST

3.19e-08 mmHg

TEST Report

Not Available

OPERA

1.91e-07 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

11.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

11.2

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

4.74e-09 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.74e-09 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.56 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.56

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

87.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

87.7 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

273 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

273 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

34.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

34.8 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

330000 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

6.10e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

69.2 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

3.41 (1)

- - - -

days

Bioconcentration Factor

-

35.5 (3)

-

23.0

-

8.30 to 75.3

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

330000 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

330000 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

6.10e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.10e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

69.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

69.2 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

3.41 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.41 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

35.5 (3)

23.0

8.30 to 75.3

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

8.30

Not Available

Available

TEST

75.3

TEST Report

Not Available

OPERA

23.0

OPERA Model Report

Available

Found 28 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Norethandrolone
(17alpha)-17-Hydroxy-19-norpregn-4-en-3-one
Estr-4-en-3-one, 17-ethyl-17-hydroxy-, (17beta)-
52-78-8 Active CAS-RN
EINECS 200-153-5
Estr-4-en-3-one, 17alpha-ethyl-17-hydroxy-
17-alpha-Ethyl-17-hydroxynorandrostenone
17-alpha-Ethyl-17-hydroxy-19-norandrost-4-en-3-one
17-alpha-Ethyl-17-hydroxy-4-norandrosten-3-one
17alpha-Ethylnortestosterone
17alpha-Ethyl-19-nortestosterone
17-Ethyl-19-nortestosterone
(17-alpha)-17-Hydroxy-19-norpregn-4-en-3-one
17-Hydroxy-19-nor-17-alpha-pregn-4-en-3-one
17-Hydroxy-19-norpregn-4-en-3-one
Nilevar
19-Norethyltestosterone
19-Nor-17-alpha-ethyltestosterone
17-alpha-Nortestosterone
19-Nortestosterone, 17-ethyl-
NSC 70581
Pronabol
Solevar
Ethylnortestosteron
Noretandrolona
Noretandrolone
Norethandrolonum
UNII-P7W01638W6 FDA Registry Number
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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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