Success!

Failed to copy.

Phenothiazine, 2-chloro-10-(morpholinoacetyl)-
83568-07-4 | DTXSID90232439

Searched by CAS-RN: Found 1 result for '83568-07-4'.

Image not found
Intrinsic Properties

Molecular Formula: C18H17ClN2O2S

Average Mass: 360.86 g/mol

Monoisotopic Mass: 360.069927 g/mol

Structural Identifiers

IUPAC Name: 1-(2-Chloro-10H-phenothiazin-10-yl)-2-(morpholin-4-yl)ethan-1-one

SMILES: ClC1=CC2=C(SC3=CC=CC=C3N2C(=O)CN2CCOCC2)C=C1

InChI String: InChI=1S/C18H17ClN2O2S/c19-13-5-6-17-15(11-13)21(14-3-1-2-4-16(14)24-17)18(22)12-20-7-9-23-10-8-20/h1-6,11H,7-10,12H2

InChIKey: PQZBOHRAUKGCDL-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID90232439 (accessed May 25, 2018), Phenothiazine, 2-chloro-10-(morpholinoacetyl)-

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

-

2.71 (5)

-

2.55

-

2.27 to 3.24

-

Water Solubility

-

5.90e-04 (4)

-

2.35e-05

-

1.31e-05 to 2.30e-03

mol/L

Density

-

1.35 (2)

-

1.35

-

1.34 to 1.37

g/cm^3

Flash Point

-

295 (2)

-

295

-

280 to 311

°C

Melting Point

-

169 (4)

-

160

-

148 to 206

°C

Boiling Point

-

443 (5)

-

454

-

326 to 590

°C

Surface Tension

-

55.9 (1)

- - - -

dyn/cm

Vapor Pressure

-

5.52e-09 (3)

-

1.45e-11

-

6.77e-14 to 1.66e-08

mmHg

LogKoa: Octanol-Air

-

11.7 (1)

- - - - -

Henry's Law

-

3.45e-08 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.65 (1)

- - - - -

Molar Refractivity

-

96.6 (1)

- - - -

cm^3

Molar Volume

-

264 (1)

- - - -

cm^3

Polarizability

-

38.3 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

2.71 (5)

2.55

2.27 to 3.24

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.27

Not Available

Not Available

NICEATM

2.31

Not Available

Available

ACD/Labs Consensus

3.18

Not Available

Not Available

ACD/Labs

2.55

Not Available

Not Available

OPERA

3.24

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

5.90e-04 (4)

2.35e-05

1.31e-05 to 2.30e-03

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.31e-05 mol/L

Not Available

Not Available

NICEATM

2.30e-03 mol/L

Not Available

Available

OPERA

1.43e-05 mol/L

OPERA Model Report

Available

TEST

3.27e-05 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.35 (2)

1.35

1.34 to 1.37

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.37 g/cm^3

Not Available

Not Available

TEST

1.34 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

295 (2)

295

280 to 311

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

311 °C

Not Available

Not Available

TEST

280 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

169 (4)

160

148 to 206

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

206 °C

Not Available

Not Available

NICEATM

170 °C

Not Available

Available

OPERA

148 °C

OPERA Model Report

Available

TEST

149 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

443 (5)

454

326 to 590

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

487 °C

Not Available

Not Available

NICEATM

326 °C

Not Available

Available

ACD/Labs

590 °C

Not Available

Not Available

OPERA

361 °C

OPERA Model Report

Available

TEST

454 °C

TEST Report

Not Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

55.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

55.9 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

5.52e-09 (3)

1.45e-11

6.77e-14 to 1.66e-08

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.45e-11 mmHg

Not Available

Available

ACD/Labs

6.77e-14 mmHg

Not Available

Not Available

OPERA

1.66e-08 mmHg

OPERA Model Report

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

3.45e-08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.45e-08 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.65 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.65

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

96.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

96.6 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

264 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

264 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

38.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

38.3 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

836 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

2.00e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

14.8 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.47 (1)

- - - -

days

Bioconcentration Factor

-

801 (2)

-

801

-

150 to 1450

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

836 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

836 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

2.00e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.00e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

14.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

14.8 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.47 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.47 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

801 (2)

801

150 to 1450

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1450

Not Available

Available

OPERA

150

OPERA Model Report

Available

Found 7 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Phenothiazine, 2-chloro-10-(morpholinoacetyl)-
1-(2-Chloro-10H-phenothiazin-10-yl)-2-(morpholin-4-yl)ethan-1-one
Ethanone, 1-(2-chloro-10H-phenothiazin-10-yl)-2-(4-morpholinyl)-
83568-07-4 Active CAS-RN
2-Chloro-10-(morpholinoacetyl)phenothiazine
10H-Phenothiazine, 2-chloro-10-(4-morpholinylacetyl)-
2-Chloro-10-morfolinoacetylo-fenotiazyna
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

Executive Summary

Imgnotfound