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9-Acridinamine, N-methyl- (9CI)
22739-29-3 | DTXSID70177278

Searched by CAS-RN: Found 1 result for '22739-29-3'.

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Intrinsic Properties

Molecular Formula: C14H12N2

Average Mass: 208.264 g/mol

Monoisotopic Mass: 208.100048 g/mol

Structural Identifiers

IUPAC Name: N-Methylacridin-9-amine

SMILES: CNC1=C2C=CC=CC2=NC2=CC=CC=C12

InChI String: InChI=1S/C14H12N2/c1-15-14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2-9H,1H3,(H,15,16)

InChIKey: BSDDSRKVZZVVQX-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/DTXSID70177278 (accessed May 25, 2018), 9-Acridinamine, N-methyl- (9CI)

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

-

2.66 (5)

-

2.95

-

1.61 to 3.16

-

Water Solubility

-

4.58e-04 (4)

-

3.82e-04

-

4.48e-05 to 1.02e-03

mol/L

Density

-

1.21 (1)

- - - -

g/cm^3

Flash Point

-

195 (2)

-

195

-

194 to 195

°C

Melting Point

-

159 (4)

-

155

-

122 to 205

°C

Boiling Point

-

374 (5)

-

371

-

355 to 397

°C

Thermal Conductivity

-

140 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

3.20e-05 (4)

-

2.17e-06

-

2.12e-08 to 1.24e-04

mmHg

LogKoa: Octanol-Air

-

10.3 (1)

- - - - -

Henry's Law

-

6.87e-08 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

2.66 (5)

2.95

1.61 to 3.16

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.95

Not Available

Not Available

NICEATM

1.61

Not Available

Available

ACD/Labs Consensus

3.02

Not Available

Not Available

ACD/Labs

2.54

Not Available

Not Available

OPERA

3.16

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

4.58e-04 (4)

3.82e-04

4.48e-05 to 1.02e-03

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.48e-05 mol/L

Not Available

Not Available

NICEATM

1.02e-03 mol/L

Not Available

Available

OPERA

6.12e-04 mol/L

OPERA Model Report

Available

TEST

1.53e-04 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.21 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.21 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

195 (2)

195

194 to 195

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

194 °C

Not Available

Not Available

TEST

195 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

159 (4)

155

122 to 205

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

129 °C

Not Available

Not Available

NICEATM

180 °C

Not Available

Available

OPERA

205 °C

OPERA Model Report

Available

TEST

122 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

374 (5)

371

355 to 397

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

367 °C

Not Available

Not Available

NICEATM

371 °C

Not Available

Available

ACD/Labs

397 °C

Not Available

Not Available

OPERA

355 °C

OPERA Model Report

Available

TEST

381 °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

3.20e-05 (4)

2.17e-06

2.12e-08 to 1.24e-04

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.24e-04 mmHg

Not Available

Available

ACD/Labs

1.68e-06 mmHg

Not Available

Not Available

OPERA

2.12e-08 mmHg

OPERA Model Report

Available

TEST

2.66e-06 mmHg

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

10.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

10.3

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

6.87e-08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.87e-08 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

2340 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.98e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

20.2 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

6.93e-01 (1)

- - - -

days

Bioconcentration Factor

-

613 (3)

-

75.7

-

70.0 to 1690

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

2340 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2340 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.98e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.98e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

20.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

20.2 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

6.93e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.93e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

613 (3)

75.7

70.0 to 1690

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1690

Not Available

Available

OPERA

75.7

OPERA Model Report

Available

TEST

70.0

TEST Report

Not Available

Found 10 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
9-Acridinamine, N-methyl- (9CI)
N-Methylacridin-9-amine
9-Acridinamine, N-methyl-
22739-29-3 Active CAS-RN
5-22-11-00010 Beilstein Registry Number
BRN 0159148
N-Methyl-9-acridinamine
5-Methylaminoacridine
9-(Methylamino)acridine
NSC 337980
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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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