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Naphazoline
835-31-4 | DTXSID3048449

Searched by Approved Name: Found 1 result for 'Naphazoline'.

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Intrinsic Properties

Molecular Formula: C14H14N2

Average Mass: 210.28 g/mol

Monoisotopic Mass: 210.115698 g/mol

Structural Identifiers

IUPAC Name: 2-[(Naphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole

SMILES: C(C1=NCCN1)C1=CC=CC2=C1C=CC=C2

InChI String: InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)

InChIKey: VIXRKFBKWOHVBR-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/DTXSID3048449 (accessed April 22, 2018), Naphazoline

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

-

3.13 (4)

-

3.00

-

2.64 to 3.88

-

Water Solubility

-

1.71e-02 (3)

-

3.15e-03

-

4.34e-04 to 4.77e-02

mol/L

Density

-

1.18 (1)

- - - -

g/cm^3

Flash Point

-

210 (2)

-

210

-

199 to 220

°C

Melting Point

-

157 (3)

-

160

-

144 to 167

°C

Boiling Point

-

376 (3)

-

345

-

343 to 440

°C

Vapor Pressure

-

2.21e-04 (4)

-

1.37e-06

-

4.99e-08 to 8.79e-04

mmHg

LogKoa: Octanol-Air

-

8.98 (1)

- - - - -

Henry's Law

-

2.21e-09 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

3.13 (4)

3.00

2.64 to 3.88

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.64

Not Available

Available

ACD/Labs Consensus

3.29

Not Available

Not Available

ACD/Labs

3.88

Not Available

Not Available

OPERA

2.70

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

1.71e-02 (3)

3.15e-03

4.34e-04 to 4.77e-02

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

4.77e-02 mol/L

Not Available

Available

OPERA

3.15e-03 mol/L

OPERA Model Report

Available

TEST

4.34e-04 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.18 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.18 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

210 (2)

210

199 to 220

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

220 °C

Not Available

Not Available

TEST

199 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

157 (3)

160

144 to 167

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

167 °C

Not Available

Available

OPERA

160 °C

OPERA Model Report

Available

TEST

144 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

376 (3)

345

343 to 440

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

345 °C

Not Available

Available

ACD/Labs

440 °C

Not Available

Not Available

OPERA

343 °C

OPERA Model Report

Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

2.21e-04 (4)

1.37e-06

4.99e-08 to 8.79e-04

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

8.79e-04 mmHg

Not Available

Available

ACD/Labs

1.52e-07 mmHg

Not Available

Not Available

OPERA

4.99e-08 mmHg

OPERA Model Report

Available

TEST

2.59e-06 mmHg

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

8.98 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.98

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

2.21e-09 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.21e-09 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

281 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.79e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

2.57 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

7.07e-01 (1)

- - - -

days

Bioconcentration Factor

-

142 (3)

-

67.1

-

12.4 to 345

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

281 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

281 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.79e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.79e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

2.57 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.57 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

7.07e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.07e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

142 (3)

67.1

12.4 to 345

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

345

Not Available

Available

OPERA

67.1

OPERA Model Report

Available

TEST

12.4

TEST Report

Not Available

Found 34 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Naphazoline
2-[(Naphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole
1H-Imidazole, 4,5-dihydro-2-(1-naphthalenylmethyl)-
835-31-4 Active CAS-RN
1H-Imidazole, 4,5-dihydro-2-(1-naphthalenylmethyl)-
2-[(Naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole
naphazoline
Naphazolin
nafazolina
2-(1-Naphthalenylmethyl)-2-imidazoline
2-Imidazoline, 2-(1-naphthylmethyl)-
Antan
Antigaimorit
Colirio Alfa
Euboral Oftalmico
Imidin
Naphthazoline
Nephazoline
Rhinazine
5-23-08-00293 Beilstein Registry Number
BRN 0151864
Ciba 2020/R
EINECS 212-641-5
Naphthizine
alpha-Naphthylmethyl imidazoline
2-(alpha-Naphthylmethyl)-imidazoline
2-(1-Naphthylmethyl)-2-imidazoline
Clearine
4,5-Dihydro-2-(1-naphthylmethyl)imidazole
2-(Naphthyl-(1')-methyl)imidazolin
Nafazolina
Nafazoline
Naphazolinum
UNII-H231GF11BV FDA Registry Number
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

4792nd highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

2.00e-07

2.13e-05

Ages 12-19

1.54e-07

1.05e-05

Ages 20-65

1.67e-07

9.35e-06

Ages 65+

1.29e-07

7.91e-06

BMI > 30

1.34e-07

1.10e-05

BMI < 30

1.60e-07

1.20e-05

Repro. Age Females

1.11e-07

1.40e-05

Females

1.46e-07

7.11e-06

Males

1.37e-07

8.47e-06

Total

1.37e-07

1.17e-05

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Executive Summary

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