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4-Aminoacridine
578-07-4 | DTXSID80206487

Searched by Approved Name: Found 1 result for '4-Aminoacridine'.

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Wikipedia
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Intrinsic Properties

Molecular Formula: C13H10N2

Average Mass: 194.237 g/mol

Monoisotopic Mass: 194.084398 g/mol

Structural Identifiers

IUPAC Name: Acridin-4-amine

SMILES: NC1=CC=CC2=CC3=CC=CC=C3N=C12

InChI String: InChI=1S/C13H10N2/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-8H,14H2

InChIKey: QWAGALBSTFENEE-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/DTXSID80206487 (accessed July 16, 2018), 4-Aminoacridine

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

3.26 (1)

2.75 (5)

-

3.07

3.26

1.42 to 3.26

-

Water Solubility

-

1.71e-04 (4)

-

1.33e-04

-

3.08e-05 to 3.87e-04

mol/L

Density

-

1.27 (1)

- - - -

g/cm^3

Flash Point

-

231 (2)

-

231

-

224 to 237

°C

Melting Point

108 (2)

155 (4)

108

154

108

138 to 175

°C

Boiling Point

-

381 (5)

-

376

-

359 to 420

°C

Thermal Conductivity

-

140 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

1.87e-06 (4)

-

1.10e-06

-

5.59e-09 to 5.25e-06

mmHg

Viscosity

-

29.5 (1)

- - - -

cP

LogKoa: Octanol-Air

-

10.0 (1)

- - - - -

Henry's Law

-

8.56e-08 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental

3.26 (1)

-

3.26

Predicted

2.75 (5)

3.07

1.42 to 3.26

Experimental

Source

Result

PhysPropNCCT

3.26

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.20

Not Available

Not Available

NICEATM

1.42

Not Available

Available

ACD/Labs Consensus

2.81

Not Available

Not Available

ACD/Labs

3.26

Not Available

Not Available

OPERA

3.07

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

1.71e-04 (4)

1.33e-04

3.08e-05 to 3.87e-04

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.08e-05 mol/L

Not Available

Not Available

NICEATM

3.87e-04 mol/L

Not Available

Available

OPERA

1.67e-04 mol/L

OPERA Model Report

Available

TEST

9.82e-05 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.27 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.27 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

231 (2)

231

224 to 237

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

237 °C

Not Available

Not Available

TEST

224 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

108 (2)

108

108

Predicted

155 (4)

154

138 to 175

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

108 °C

PhysPropNCCT

108 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

138 °C

Not Available

Not Available

NICEATM

175 °C

Not Available

Available

OPERA

151 °C

OPERA Model Report

Available

TEST

156 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

381 (5)

376

359 to 420

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

376 °C

Not Available

Not Available

NICEATM

370 °C

Not Available

Available

ACD/Labs

420 °C

Not Available

Not Available

OPERA

359 °C

OPERA Model Report

Available

TEST

379 °C

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

140 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

140 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

1.87e-06 (4)

1.10e-06

5.59e-09 to 5.25e-06

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5.25e-06 mmHg

Not Available

Available

ACD/Labs

2.95e-07 mmHg

Not Available

Not Available

OPERA

5.59e-09 mmHg

OPERA Model Report

Available

TEST

1.91e-06 mmHg

TEST Report

Not Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

29.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

29.5 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

10.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

10.0

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

8.56e-08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.56e-08 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

8530 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

8.06e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

29.7 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

7.00e-01 (1)

- - - -

days

Bioconcentration Factor

-

189 (3)

-

55.3

-

30.1 to 482

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

8530 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8530 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

8.06e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.06e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

29.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

29.7 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

7.00e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.00e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

189 (3)

55.3

30.1 to 482

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

482

Not Available

Available

OPERA

30.1

OPERA Model Report

Available

TEST

55.3

TEST Report

Not Available

Found 9 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
4-Aminoacridine
Acridin-4-amine
4-Acridinamine
578-07-4 Active CAS-RN
5-Aminoacridine
1-Aminoacridine
BRN 0142257
4-Aminoakridin
UNII-16S346L1OM 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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