Success!

Failed to copy.

Adipamide
628-94-4 | DTXSID4020032

Searched by CAS-RN: Found 1 result for '628-94-4'.

Image not found
Wikipedia
Imgnotfound
Intrinsic Properties

Molecular Formula: C6H12N2O2

Average Mass: 144.174 g/mol

Monoisotopic Mass: 144.089878 g/mol

Structural Identifiers

IUPAC Name: Hexanediamide

SMILES: NC(=O)CCCCC(N)=O

InChI String: InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)

InChIKey: GVNWZKBFMFUVNX-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID4020032 (accessed June 23, 2018), Adipamide

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

-

-1.62 (5)

-

-1.68

-

-1.86 to -1.23

-

Water Solubility

-

7.26e-01 (4)

-

6.31e-01

-

4.54e-01 to 1.19

mol/L

Density

-

1.09 (2)

-

1.09

-

1.07 to 1.12

g/cm^3

Flash Point

-

198 (2)

-

198

-

153 to 243

°C

Melting Point

224 (6)

148 (4)

225

152

220 to 226

125 to 164

°C

Boiling Point

-

351 (5)

-

338

-

264 to 479

°C

Surface Tension

-

47.5 (1)

- - - -

dyn/cm

Vapor Pressure

-

2.53e-05 (4)

-

2.91e-06

-

2.52e-09 to 9.53e-05

mmHg

LogKoa: Octanol-Air

-

8.08 (1)

- - - - -

Henry's Law

-

4.31e-10 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.48 (1)

- - - - -

Molar Refractivity

-

37.0 (1)

- - - -

cm^3

Molar Volume

-

129 (1)

- - - -

cm^3

Polarizability

-

14.7 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

-1.62 (5)

-1.68

-1.86 to -1.23

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-1.68

Not Available

Not Available

NICEATM

-1.60

Not Available

Available

ACD/Labs Consensus

-1.23

Not Available

Not Available

ACD/Labs

-1.86

Not Available

Not Available

OPERA

-1.73

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

7.26e-01 (4)

6.31e-01

4.54e-01 to 1.19

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

7.48e-01 mol/L

Not Available

Not Available

NICEATM

1.19 mol/L

Not Available

Available

TEST

5.14e-01 mol/L

TEST Report

Not Available

OPERA

4.54e-01 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.09 (2)

1.09

1.07 to 1.12

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.12 g/cm^3

Not Available

Not Available

TEST

1.07 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

198 (2)

198

153 to 243

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

243 °C

Not Available

Not Available

TEST

153 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

224 (6)

225

220 to 226

Predicted

148 (4)

152

125 to 164

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

351 (5)

338

264 to 479

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

372 °C

Not Available

Not Available

NICEATM

338 °C

Not Available

Available

ACD/Labs

479 °C

Not Available

Not Available

TEST

302 °C

TEST Report

Not Available

OPERA

264 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

47.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

47.5 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

2.53e-05 (4)

2.91e-06

2.52e-09 to 9.53e-05

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

3.33e-07 mmHg

Not Available

Available

ACD/Labs

2.52e-09 mmHg

Not Available

Not Available

TEST

5.48e-06 mmHg

TEST Report

Not Available

OPERA

9.53e-05 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

8.08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.08

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

4.31e-10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.31e-10 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.48 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.48

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

37.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

37.0 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

129 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

129 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

14.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

14.7 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

48.2 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

5.53e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

5.35 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

2.65e-01 (1)

- - - -

days

Bioconcentration Factor

-

1.00 (3)

-

3.24e-01

-

9.54e-02 to 2.59

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

48.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

48.2 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

5.53e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.53e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

5.35 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.35 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

2.65e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.65e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1.00 (3)

3.24e-01

9.54e-02 to 2.59

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

9.54e-02

Not Available

Available

TEST

3.24e-01

TEST Report

Not Available

OPERA

2.59

OPERA Model Report

Available

Found 13 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Adipamide
Hexanediamide
628-94-4 Active CAS-RN
4-02-00-01972 Beilstein Registry Number
Adipic acid amide
Adipic acid diamide
Adipic diamide
BRN 1762331
1,4-Butanedicarboxamide
EINECS 211-062-5
NCI-C02095
NSC 7623
UNII-40DRU033OW FDA Registry Number
Imgnotfound
Imgnotfound
Imgnotfound
Imgnotfound

National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

5986th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

1.52e-07

1.72e-05

Ages 12-19

1.23e-07

5.81e-06

Ages 20-65

9.82e-08

7.51e-06

Ages 65+

9.81e-08

6.15e-06

BMI > 30

8.02e-08

5.14e-06

BMI < 30

1.11e-07

7.71e-06

Repro. Age Females

8.26e-08

6.43e-06

Females

9.33e-08

6.91e-06

Males

8.29e-08

7.18e-06

Total

9.45e-08

5.05e-06

Imgnotfound

PubChem Articles

Select Term:

AND

AND

Edit the Query Before Querying ()

You have hit the max of 255 characters for this query.

PubChem Patents

Loading Image

Searched with a similarity threshold of 0.8

Executive Summary

Imgnotfound