Success!

Failed to copy.

Hydrazinecarboximidamide, N,N-dimethyl-2-(2,6-dimethylphenyl)-
100752-33-8 | DTXSID50143496

Searched by CAS-RN: Found 1 result for '100752-33-8'.

Image not found
Intrinsic Properties

Molecular Formula: C11H18N4

Average Mass: 206.293 g/mol

Monoisotopic Mass: 206.153147 g/mol

Structural Identifiers

IUPAC Name: N''-(2,6-Dimethylphenyl)-N,N-dimethylcarbonohydrazonic diamide

SMILES: CN(C)C(\N)=N/NC1=C(C)C=CC=C1C

InChI String: InChI=1S/C11H18N4/c1-8-6-5-7-9(2)10(8)13-14-11(12)15(3)4/h5-7,13H,1-4H3,(H2,12,14)

InChIKey: IRRZFNMHMZYHIW-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID50143496 (accessed July 22, 2018), Hydrazinecarboximidamide, N,N-dimethyl-2-(2,6-dimethylphenyl)-

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

-

1.52 (5)

-

1.67

-

0.99 to 1.92

-

Water Solubility

-

1.01e-02 (4)

-

5.95e-03

-

4.47e-04 to 2.81e-02

mol/L

Density

-

1.21 (2)

-

1.21

-

1.06 to 1.36

g/cm^3

Flash Point

-

127 (2)

-

127

-

114 to 141

°C

Melting Point

-

130 (4)

-

136

-

96.8 to 153

°C

Boiling Point

-

323 (4)

-

319

-

309 to 344

°C

Surface Tension

-

35.4 (1)

- - - -

dyn/cm

Vapor Pressure

-

1.95e-04 (4)

-

6.16e-05

-

8.39e-09 to 6.58e-04

mmHg

LogKoa: Octanol-Air

-

8.08 (1)

- - - - -

Henry's Law

-

1.43e-09 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.55 (1)

- - - - -

Molar Refractivity

-

61.9 (1)

- - - -

cm^3

Molar Volume

-

195 (1)

- - - -

cm^3

Polarizability

-

24.6 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

1.52 (5)

1.67

0.99 to 1.92

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

0.99

Not Available

Not Available

NICEATM

1.22

Not Available

Available

ACD/Labs Consensus

1.67

Not Available

Not Available

ACD/Labs

1.80

Not Available

Not Available

OPERA

1.92

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

1.01e-02 (4)

5.95e-03

4.47e-04 to 2.81e-02

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.81e-02 mol/L

Not Available

Not Available

NICEATM

5.07e-03 mol/L

Not Available

Available

TEST

6.84e-03 mol/L

TEST Report

Not Available

OPERA

4.47e-04 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.21 (2)

1.21

1.06 to 1.36

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.06 g/cm^3

Not Available

Not Available

TEST

1.36 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

127 (2)

127

114 to 141

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

141 °C

Not Available

Not Available

TEST

114 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

130 (4)

136

96.8 to 153

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

96.8 °C

Not Available

Not Available

NICEATM

153 °C

Not Available

Available

TEST

146 °C

TEST Report

Not Available

OPERA

126 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

323 (4)

319

309 to 344

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

320 °C

Not Available

Not Available

NICEATM

317 °C

Not Available

Available

ACD/Labs

309 °C

Not Available

Not Available

OPERA

344 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

35.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

35.4 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

1.95e-04 (4)

6.16e-05

8.39e-09 to 6.58e-04

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

8.27e-07 mmHg

Not Available

Available

ACD/Labs

6.58e-04 mmHg

Not Available

Not Available

TEST

1.22e-04 mmHg

TEST Report

Not Available

OPERA

8.39e-09 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

1.43e-09 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.43e-09 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.55 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.55

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

61.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

61.9 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

195 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

195 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

24.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

24.6 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

126 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.61e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.36 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.50e-01 (1)

- - - -

days

Bioconcentration Factor

-

83.1 (3)

-

9.69

-

9.59 to 230

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

126 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

126 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.61e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.61e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.36 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.36 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.50e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.50e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

83.1 (3)

9.69

9.59 to 230

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

230

Not Available

Available

TEST

9.59

TEST Report

Not Available

OPERA

9.69

OPERA Model Report

Available

Found 5 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Hydrazinecarboximidamide, N,N-dimethyl-2-(2,6-dimethylphenyl)-
N''-(2,6-Dimethylphenyl)-N,N-dimethylcarbonohydrazonic diamide
Carbonohydrazonic diamide, N''-(2,6-dimethylphenyl)-N,N-dimethyl-
100752-33-8 Active CAS-RN
N,N-Dimethyl-2-(2,6-dimethylphenyl)hydrazinecarboximidamide
Imgnotfound
Imgnotfound
Imgnotfound
Imgnotfound

National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Exposure Predictions

There is no exposure data available.

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