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Benzenesulfonamide, 4-amino-N-(aminocarbonyl)-, compd. with piperidine (1:1)
113712-87-1 | DTXSID20150536

Searched by CAS-RN: Found 1 result for '113712-87-1'.

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Intrinsic Properties

Molecular Formula: C12H20N4O3S

Average Mass: 300.38 g/mol

Monoisotopic Mass: 300.125612 g/mol

Structural Identifiers

IUPAC Name: 4-Amino-N-carbamoylbenzene-1-sulfonamide--piperidine (1/1)

SMILES: C1CCNCC1.NC(=O)NS(=O)(=O)C1=CC=C(N)C=C1

InChI String: InChI=1S/C7H9N3O3S.C5H11N/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11;1-2-4-6-5-3-1/h1-4H,8H2,(H3,9,10,11);6H,1-5H2

InChIKey: WQSZPXACMNJLMY-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/DTXSID20150536 (accessed July 22, 2018), Benzenesulfonamide, 4-amino-N-(aminocarbonyl)-, compd. with piperidine (1:1)

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

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

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-0.702 (1)

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LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

-0.702 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

-0.702

Not Available

Not Available

No Environmental Fate/Transport Properties Found.

Found 4 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Benzenesulfonamide, 4-amino-N-(aminocarbonyl)-, compd. with piperidine (1:1)
4-Amino-N-carbamoylbenzene-1-sulfonamide--piperidine (1/1)
113712-87-1 Active CAS-RN
4-Amino-N-(aminocarbonyl)benzenesulfonamide compd. with piperidine (1:1)
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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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