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R(+)-1-Acetamino-3-(1-naphthyloxy)-2-propanol
187537-22-0 | DTXSID10172065

Searched by CAS-RN: Found 1 result for '187537-22-0'.

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Intrinsic Properties

Molecular Formula: C15H17NO3

Average Mass: 259.305 g/mol

Monoisotopic Mass: 259.120843 g/mol

Structural Identifiers

IUPAC Name: N-{(2R)-2-Hydroxy-3-[(naphthalen-1-yl)oxy]propyl}acetamide

SMILES: CC(=O)NC[C@@H](O)COC1=CC=CC2=CC=CC=C12

InChI String: InChI=1S/C15H17NO3/c1-11(17)16-9-13(18)10-19-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13,18H,9-10H2,1H3,(H,16,17)/t13-/m1/s1

InChIKey: CUUPLGHBUVKIFA-CYBMUJFWSA-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/DTXSID10172065 (accessed July 23, 2018), R(+)-1-Acetamino-3-(1-naphthyloxy)-2-propanol

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

-

1.51 (5)

-

1.77

-

5.02e-01 to 2.32

-

Water Solubility

-

3.17e-02 (4)

-

4.39e-03

-

7.08e-05 to 1.18e-01

mol/L

Density

-

1.17 (1)

- - - -

g/cm^3

Flash Point

-

255 (2)

-

255

-

228 to 283

°C

Melting Point

-

156 (4)

-

156

-

121 to 192

°C

Boiling Point

-

413 (5)

-

411

-

319 to 544

°C

Thermal Conductivity

-

157 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

2.63e-09 (4)

-

4.28e-10

-

1.10e-12 to 9.66e-09

mmHg

Viscosity

-

83.8 (1)

- - - -

cP

LogKoa: Octanol-Air

-

9.18 (1)

- - - - -

Henry's Law

-

1.48e-10 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

1.51 (5)

1.77

5.02e-01 to 2.32

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.17

Not Available

Not Available

NICEATM

5.02e-01

Not Available

Available

ACD/Labs Consensus

1.77

Not Available

Not Available

ACD/Labs

1.80

Not Available

Not Available

OPERA

2.32

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

3.17e-02 (4)

4.39e-03

7.08e-05 to 1.18e-01

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

8.19e-03 mol/L

Not Available

Not Available

NICEATM

1.18e-01 mol/L

Not Available

Available

OPERA

5.82e-04 mol/L

OPERA Model Report

Available

TEST

7.08e-05 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.17 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.17 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

255 (2)

255

228 to 283

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

283 °C

Not Available

Not Available

TEST

228 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

156 (4)

156

121 to 192

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

190 °C

Not Available

Not Available

NICEATM

121 °C

Not Available

Available

OPERA

192 °C

OPERA Model Report

Available

TEST

123 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

413 (5)

411

319 to 544

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

456 °C

Not Available

Not Available

NICEATM

319 °C

Not Available

Available

ACD/Labs

544 °C

Not Available

Not Available

OPERA

333 °C

OPERA Model Report

Available

TEST

411 °C

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

157 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

157 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

2.63e-09 (4)

4.28e-10

1.10e-12 to 9.66e-09

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5.25e-11 mmHg

Not Available

Available

ACD/Labs

1.10e-12 mmHg

Not Available

Not Available

OPERA

8.04e-10 mmHg

OPERA Model Report

Available

TEST

9.66e-09 mmHg

TEST Report

Not Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

83.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

83.8 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

9.18 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.18

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.48e-10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.48e-10 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

304 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.70e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.53 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

3.87e-01 (1)

- - - -

days

Bioconcentration Factor

-

6.08 (3)

-

6.00

-

7.07e-01 to 11.5

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

304 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

304 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.70e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.70e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.53 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.53 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

3.87e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.87e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

6.08 (3)

6.00

7.07e-01 to 11.5

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

7.07e-01

Not Available

Available

OPERA

11.5

OPERA Model Report

Available

TEST

6.00

TEST Report

Not Available

Found 5 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
R(+)-1-Acetamino-3-(1-naphthyloxy)-2-propanol
N-{(2R)-2-Hydroxy-3-[(naphthalen-1-yl)oxy]propyl}acetamide
Acetamide, N-[(2R)-2-hydroxy-3-(1-naphthalenyloxy)propyl]-
187537-22-0 Active CAS-RN
R(+)-1-Acetamino-3-(naphthyloxy)-2-propanol
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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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