Success!

Failed to copy.

Cyperquat
48134-75-4 | DTXSID4058106

Searched by Approved Name: Found 1 result for 'Cyperquat'.

Image not found
Intrinsic Properties

Molecular Formula: C12H12N

Average Mass: 170.234 g/mol

Monoisotopic Mass: 170.096426 g/mol

Structural Identifiers

IUPAC Name: 1-Methyl-4-phenylpyridin-1-ium

SMILES: C[N+]1=CC=C(C=C1)C1=CC=CC=C1

InChI String: InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1

InChIKey: FMGYKKMPNATWHP-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID4058106 (accessed July 22, 2018), Cyperquat

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

-

-0.684 (5)

-

-0.650

-

-2.31 to 1.00

-

Water Solubility

-

4.29e-01 (3)

-

2.74e-03

-

1.08e-06 to 1.28

mol/L

Flash Point

-

128 (1)

- - - -

°C

Melting Point

-

80.8 (4)

-

74.5

-

59.0 to 115

°C

Boiling Point

-

282 (3)

-

284

-

266 to 294

°C

Vapor Pressure

-

7.94e-02 (2)

-

7.94e-02

-

6.62e-03 to 1.52e-01

mmHg

LogKoa: Octanol-Air

-

6.91 (1)

- - - - -

Henry's Law

-

5.17e-04 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

-0.684 (5)

-0.650

-2.31 to 1.00

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-0.650

Not Available

Not Available

NICEATM

-0.108

Not Available

Available

ACD/Labs Consensus

-2.31

Not Available

Not Available

ACD/Labs

-1.35

Not Available

Not Available

OPERA

1.00

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

4.29e-01 (3)

2.74e-03

1.08e-06 to 1.28

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.28 mol/L

Not Available

Not Available

NICEATM

2.74e-03 mol/L

Not Available

Available

OPERA

1.08e-06 mol/L

OPERA Model Report

Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

128 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

128 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

80.8 (4)

74.5

59.0 to 115

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

59.0 °C

Not Available

Not Available

NICEATM

88.6 °C

Not Available

Available

TEST

115 °C

TEST Report

Not Available

OPERA

60.4 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

282 (3)

284

266 to 294

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

294 °C

Not Available

Not Available

NICEATM

266 °C

Not Available

Available

OPERA

284 °C

OPERA Model Report

Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

7.94e-02 (2)

7.94e-02

6.62e-03 to 1.52e-01

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.52e-01 mmHg

Not Available

Available

OPERA

6.62e-03 mmHg

OPERA Model Report

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

5.17e-04 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.17e-04 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

2250 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

4.23e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

5.29 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

4.85 (1)

- - - -

days

Bioconcentration Factor

-

62.3 (2)

-

62.3

-

52.4 to 72.1

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

2250 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2250 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

4.23e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.23e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

5.29 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.29 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

4.85 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.85 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

62.3 (2)

62.3

52.4 to 72.1

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

52.4

Not Available

Available

OPERA

72.1

OPERA Model Report

Available

Found 16 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Cyperquat
1-Methyl-4-phenylpyridin-1-ium
Pyridinium, 1-methyl-4-phenyl-
48134-75-4 Active CAS-RN
Pyridinium, 1-methyl-4-phenyl-
1-Methyl-4-phenylpyridinium ion
1-Methyl-4-phenylpyridine ion(1+)
5-20-07-00550 Beilstein Registry Number
BRN 1618932
UNII-R865A5OY8J FDA Registry Number
1-Methyl-4-phenylpyridinium
MPP+
N-Methyl-4-phenylpyridine
N-Methyl-4-phenylpyridinium ion
N-methyl-4-phenylpyridinium
125910-57-8 Deleted 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

Executive Summary

Imgnotfound