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Auramine hydrochloride
2465-27-2 | DTXSID9020114

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID9020114'.

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Intrinsic Properties

Molecular Formula: C17H22ClN3

Average Mass: 303.83 g/mol

Monoisotopic Mass: 303.150225 g/mol

Structural Identifiers

IUPAC Name: 4,4'-Carbonimidoylbis(N,N-dimethylaniline)--hydrogen chloride (1/1)

SMILES: Cl.CN(C)C1=CC=C(C=C1)C(=N)C1=CC=C(C=C1)N(C)C

InChI String: InChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H

InChIKey: KSCQDDRPFHTIRL-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/DTXSID9020114 (accessed April 24, 2018), Auramine hydrochloride

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

-

3.40 (4)

-

3.50

-

2.97 to 3.64

-

Water Solubility

-

1.62e-03 (2)

-

1.62e-03

-

1.29e-03 to 1.96e-03

mol/L

Density

-

1.01 (1)

- - - -

g/cm^3

Flash Point

-

199 (1)

- - - -

°C

Melting Point

-

147 (2)

-

147

-

136 to 157

°C

Boiling Point

-

351 (3)

-

335

-

312 to 406

°C

Surface Tension

-

35.9 (1)

- - - -

dyn/cm

Vapor Pressure

-

1.33e-06 (3)

-

9.35e-07

-

8.31e-07 to 2.22e-06

mmHg

LogKoa: Octanol-Air

-

10.6 (1)

- - - - -

Henry's Law

-

1.97e-10 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.56 (1)

- - - - -

Molar Refractivity

-

84.9 (1)

- - - -

cm^3

Molar Volume

-

264 (1)

- - - -

cm^3

Polarizability

-

33.6 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

3.40 (4)

3.50

2.97 to 3.64

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.97

Not Available

Available

ACD/Labs Consensus

3.51

Not Available

Not Available

ACD/Labs

3.48

Not Available

Not Available

OPERA

3.64

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

1.62e-03 (2)

1.62e-03

1.29e-03 to 1.96e-03

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.29e-03 mol/L

Not Available

Available

OPERA

1.96e-03 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.01 g/cm^3

Not Available

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

199 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

199 °C

Not Available

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

147 (2)

147

136 to 157

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

136 °C

Not Available

Available

OPERA

157 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

351 (3)

335

312 to 406

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

312 °C

Not Available

Available

ACD/Labs

406 °C

Not Available

Not Available

OPERA

335 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

35.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

35.9 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

1.33e-06 (3)

9.35e-07

8.31e-07 to 2.22e-06

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.22e-06 mmHg

Not Available

Available

ACD/Labs

8.31e-07 mmHg

Not Available

Not Available

OPERA

9.35e-07 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

10.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

10.6

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.97e-10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.97e-10 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

84.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

84.9 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

33.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

33.6 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

813 (2)

-

813

-

277 to 1350

L/kg

Atmos. Hydroxylation Rate

-

1.64e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

8.31 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

3.99e-01 (1)

- - - -

days

Bioaccumulation Factor

-

49.9 (1)

- - - - -

Bioconcentration Factor

-

52.1 (4)

-

46.6

-

22.0 to 93.2

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

813 (2)

813

277 to 1350

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

277 L/kg

Not Available

Not Available

OPERA

1350 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.64e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.64e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

8.31 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.31 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

3.99e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.99e-01 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

49.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

49.9

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

52.1 (4)

46.6

22.0 to 93.2

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

49.9

Not Available

Not Available

EPISUITE

43.2

Not Available

Not Available

NICEATM

93.2

Not Available

Available

OPERA

22.0

OPERA Model Report

Available

Found 72 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Auramine hydrochloride
4,4'-Carbonimidoylbis(N,N-dimethylaniline)--hydrogen chloride (1/1)
Benzenamine, 4,4'-carbonimidoylbis[N,N-dimethyl-, hydrochloride (1:1)
2465-27-2 Active CAS-RN
Benzophenoneidum
C.I. Basic Yellow No. 2
Auramine-O
Benzenamine, 4,4'-carbonimidoylbis[N,N-dimethyl-, monohydrochloride
4,4'-Carbonimidoylbis(N,N-dimethylanilin)monohydrochlorid
4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride
4,4'-Carbonimidoylbis[N,N-dimethylbenzenamine] monohydrochloride
ADC Auramine O
Aizen Auramine
Aizen Auramine OH
Aizen Auramine OW 100
Arazine Yellow
Auramin
AURAMIN, TECHNISCH
Auramine 0-100
Auramine A1
Auramine chloride
AURAMINE D
Auramine FA
Auramine FWA
Auramine II
Auramine Lake Yellow O
Auramine N
Auramine O
Auramine ON
Auramine OO
Auramine OOO
Auramine OS
Auramine Pure
Auramine SP
Auramine Yellow
Basic Flavine Yellow O
Basic Light Yellow
Basic Light Yellow O
Basic Yellow 2
Basonyl Yellow 120
Benzenamine, 4,4'-carbonimidoylbis[N,N-dimethyl-, hydrochloride (1:1)
C.I. BASIC YELLOW 2
C.I. Basic Yellow 2, monohydrochloride
Calcozine Yellow OX
Flexo Yellow 110
Mitsui Auramine O
Monochlorhydrate de 4,4'-carbonimidoylbis(N,N-dimethylaniline)
monoclorhidrato de 4,4'-carbonimidoilbis(N,N-dimetilanilina)
Aizen Auramine Conc. SFA
Aniline, 4,4'-imidocarbonylbis(N,N-dimethyl-, monohydrochloride
Auramine O Extra Conc. A Export
Auramine Extra
Auramine Extra Conc. A
Basic Yellow 2, fugitive
4,4'-Bis(dimethylamino)-benzhydrylidenimine hydrochloride
CI Basic Yellow 2
CI Basic Yellow 2, monohydrochloride
EINECS 219-567-2
NSC 4045
NSC 47707
NSC 93737
(Tetramethyldiamino)diphenylketoimine hydrochloride
Zlut zasadita 2
Auramine, monohydrochloride
UNII-DL992L7W39 FDA Registry Number
1,1-Bis(p-dimethylaminophenyl)methylenimine hydrochloride
4,4'-(Imidocarbonyl)bis(N,N-dimethylamine), monohydrochloride
4,4'-Bis(dimethylamino)-benzhydrylidenimine hydrochloride
4:4'-Bis(dimethylamino)benzophenone-imine hydrochloride
C.I. 41000
C.I. Basic Yellow 2, monohydrochloride
12237-78-4 Deleted CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

627th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

1.73e-06

1.66e-04

Ages 12-19

2.02e-06

1.42e-04

Ages 20-65

1.73e-06

1.15e-04

Ages 65+

1.44e-06

1.25e-04

BMI > 30

1.74e-06

1.57e-04

BMI < 30

1.98e-06

1.31e-04

Repro. Age Females

2.54e-06

1.92e-04

Females

2.11e-06

2.76e-04

Males

1.06e-06

6.67e-05

Total

1.81e-06

1.13e-04

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