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Dodecanedioic acid, compd. with 1,12-dodecanediamine (1:1)
60180-78-1 | DTXSID5069388

Searched by CAS-RN: Found 1 result for '60180-78-1'.

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Intrinsic Properties

Molecular Formula: C24H50N2O4

Average Mass: 430.674 g/mol

Monoisotopic Mass: 430.377058 g/mol

Structural Identifiers

IUPAC Name: Dodecanedioic acid--dodecane-1,12-diamine (1/1)

SMILES: NCCCCCCCCCCCCN.OC(=O)CCCCCCCCCCC(O)=O

InChI String: InChI=1S/C12H28N2.C12H22O4/c13-11-9-7-5-3-1-2-4-6-8-10-12-14;13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-14H2;1-10H2,(H,13,14)(H,15,16)

InChIKey: SWZJUAVKTJFUIS-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/DTXSID5069388 (accessed May 21, 2018), Dodecanedioic acid, compd. with 1,12-dodecanediamine (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

SRS/ChemID matched; SRS trust index 3

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

2.93 (1)

- - - - -

Flash Point

-

217 (1)

- - - -

°C

Boiling Point

-

394 (1)

- - - -

°C

Vapor Pressure

-

2.63e-07 (1)

- - - -

mmHg

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

2.93 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

2.93

Not Available

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

217 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

217 °C

Not Available

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

394 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

394 °C

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

2.63e-07 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

2.63e-07 mmHg

Not Available

Not Available

No Environmental Fate/Transport Properties Found.

Found 3 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Dodecanedioic acid, compd. with 1,12-dodecanediamine (1:1)
Dodecanedioic acid--dodecane-1,12-diamine (1/1)
60180-78-1 Active CAS-RN
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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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Searched with a similarity threshold of 0.8

Executive Summary

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