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Cryptopalmatine
2292-20-8 | DTXSID00177463

Searched by CAS-RN: Found 1 result for '2292-20-8'.

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Intrinsic Properties

Molecular Formula: C22H27NO5

Average Mass: 385.46 g/mol

Monoisotopic Mass: 385.188923 g/mol

Structural Identifiers

IUPAC Name: 3,4,10,11-Tetramethoxy-6-methyl-5,7,8,14-tetrahydrodibenzo[c,g]azecin-13(6H)-one

SMILES: COC1=C(OC)C=C2C(CCN(C)CC3=C(CC2=O)C=CC(OC)=C3OC)=C1

InChI String: InChI=1S/C22H27NO5/c1-23-9-8-15-11-20(26-3)21(27-4)12-16(15)18(24)10-14-6-7-19(25-2)22(28-5)17(14)13-23/h6-7,11-12H,8-10,13H2,1-5H3

InChIKey: HUIJAZQRYSCNED-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/DTXSID00177463 (accessed June 19, 2018), Cryptopalmatine

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

-

2.59 (5)

-

2.64

-

7.72e-01 to 3.93

-

Water Solubility

-

4.77e-05 (4)

-

4.65e-05

-

4.32e-05 to 5.46e-05

mol/L

Density

-

1.14 (1)

- - - -

g/cm^3

Flash Point

-

258 (2)

-

258

-

227 to 290

°C

Melting Point

-

161 (4)

-

158

-

122 to 208

°C

Boiling Point

-

455 (5)

-

462

-

343 to 556

°C

Thermal Conductivity

-

150 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

2.02e-09 (4)

-

1.46e-09

-

2.20e-12 to 5.18e-09

mmHg

LogKoa: Octanol-Air

-

11.7 (1)

- - - - -

Henry's Law

-

3.49e-08 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

2.59 (5)

2.64

7.72e-01 to 3.93

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.64

Not Available

Not Available

NICEATM

7.72e-01

Not Available

Available

ACD/Labs Consensus

3.00

Not Available

Not Available

ACD/Labs

3.93

Not Available

Not Available

OPERA

2.61

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

4.77e-05 (4)

4.65e-05

4.32e-05 to 5.46e-05

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.32e-05 mol/L

Not Available

Not Available

NICEATM

4.75e-05 mol/L

Not Available

Available

OPERA

4.55e-05 mol/L

OPERA Model Report

Available

TEST

5.46e-05 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.14 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.14 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

258 (2)

258

227 to 290

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

290 °C

Not Available

Not Available

TEST

227 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

161 (4)

158

122 to 208

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

208 °C

Not Available

Not Available

NICEATM

187 °C

Not Available

Available

OPERA

122 °C

OPERA Model Report

Available

TEST

129 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

455 (5)

462

343 to 556

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

490 °C

Not Available

Not Available

NICEATM

343 °C

Not Available

Available

ACD/Labs

556 °C

Not Available

Not Available

OPERA

423 °C

OPERA Model Report

Available

TEST

462 °C

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

150 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

150 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

2.02e-09 (4)

1.46e-09

2.20e-12 to 5.18e-09

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.74e-10 mmHg

Not Available

Available

ACD/Labs

2.20e-12 mmHg

Not Available

Not Available

OPERA

2.74e-09 mmHg

OPERA Model Report

Available

TEST

5.18e-09 mmHg

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

11.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

11.7

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

3.49e-08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.49e-08 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

4130 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

2.91e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

13.4 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

2.30 (1)

- - - -

days

Bioconcentration Factor

-

57.1 (3)

-

42.6

-

22.7 to 106

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

4130 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4130 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

2.91e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.91e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

13.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

13.4 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

2.30 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.30 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

57.1 (3)

42.6

22.7 to 106

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

106

Not Available

Available

OPERA

22.7

OPERA Model Report

Available

TEST

42.6

TEST Report

Not Available

Found 6 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Cryptopalmatine
3,4,10,11-Tetramethoxy-6-methyl-5,7,8,14-tetrahydrodibenzo[c,g]azecin-13(6H)-one
Dibenz[c,g]azecin-13(6H)-one, 5,7,8,14-tetrahydro-3,4,10,11-tetramethoxy-6-methyl-
2292-20-8 Active CAS-RN
Muramine
NSC 148827
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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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