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1,4-Benzenediamine, N-(4-methoxyphenyl)-, sulfate (2:1)
6254-98-4 | DTXSID6064167

Searched by CAS-RN: Found 1 result for '6254-98-4'.

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Intrinsic Properties

Molecular Formula: C26H30N4O6S

Average Mass: 526.61 g/mol

Monoisotopic Mass: 526.188606 g/mol

Structural Identifiers

IUPAC Name: Sulfuric acid--N1-(4-methoxyphenyl)benzene-1,4-diamine (1/2)

SMILES: OS(O)(=O)=O.COC1=CC=C(NC2=CC=C(N)C=C2)C=C1.COC1=CC=C(NC2=CC=C(N)C=C2)C=C1

InChI String: InChI=1S/2C13H14N2O.H2O4S/c2*1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11;1-5(2,3)4/h2*2-9,15H,14H2,1H3;(H2,1,2,3,4)

InChIKey: PDIKQPGNGBZFRQ-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/DTXSID6064167 (accessed May 21, 2018), 1,4-Benzenediamine, N-(4-methoxyphenyl)-, sulfate (2:1)

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

SRS/ChemID matched; SRS trust index 3

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

1.24 (1)

- - - - -

Flash Point

-

189 (1)

- - - -

°C

Boiling Point

-

389 (1)

- - - -

°C

Vapor Pressure

-

3.01e-06 (1)

- - - -

mmHg

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

1.24 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.24

Not Available

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

189 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

189 °C

Not Available

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

389 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

389 °C

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

3.01e-06 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

3.01e-06 mmHg

Not Available

Not Available

No Environmental Fate/Transport Properties Found.

Found 41 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
1,4-Benzenediamine, N-(4-methoxyphenyl)-, sulfate (2:1)
Sulfuric acid--N1-(4-methoxyphenyl)benzene-1,4-diamine (1/2)
1,4-Benzenediamine, N1-(4-methoxyphenyl)-, sulfate (2:1)
6254-98-4 Active CAS-RN
C.I. Azoic Diazo Component 35
Acna Blue V Base
Acna Blue V Salt
Azamine Blue B Salt
Azoene Fast Blue VB Salt
Azosalt A
Blue Base Irga VB
Blue Salt Irga NB
Blue Salt NS
Brentamine Fast Blue VB Salt
Daito Blue Salt VB
Devol Blue VB
Devol Blue VB Salt
Diasalt Blue B
Diazo Fast Blue VB
Diazo Fast Blue VBA
Diazo Fast Blue VBN
EINECS 228-384-7
Fast Blue Base BL
Fast Blue Base VB
Fast Blue Salt BL
Fast Blue VB Base, sulfate
Fast Blue VB Salt
Hiltosal Fast Blue VB Salt
Hindasol Blue LB
Kako Blue VB Salt
Kayaku Blue Salt VB
Mitsui Blue VB Salt
Naphtoelan Fast Blue BT Salt
NSC 51523
N-(para-Methoxyphenyl)-para-phenylenediamine sulfate
Variamine Blue B Salt
Variamine Blue Salt B
Variamine Blue Salt D
Variamine Blue Salt BA
Variamine Blue Salt BN
UNII-O02ZCK15D4 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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