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Pheniramine
86-21-5 | DTXSID0023454

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

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Intrinsic Properties

Molecular Formula: C16H20N2

Average Mass: 240.35 g/mol

Monoisotopic Mass: 240.162649 g/mol

Structural Identifiers

IUPAC Name: N,N-Dimethyl-3-phenyl-3-(pyridin-2-yl)propan-1-amine

SMILES: CN(C)CCC(C1=CC=CC=C1)C1=NC=CC=C1

InChI String: InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3

InChIKey: IJHNSHDBIRRJRN-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/DTXSID0023454 (accessed July 20, 2018), Pheniramine

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

-

2.82 (5)

-

2.79

-

1.63 to 3.75

-

Water Solubility

-

1.19e-02 (4)

-

1.48e-03

-

4.95e-04 to 4.40e-02

mol/L

Density

-

1.03 (2)

-

1.03

-

1.02 to 1.05

g/cm^3

Flash Point

-

171 (2)

-

171

-

164 to 177

°C

Melting Point

-

115 (4)

-

115

-

88.1 to 143

°C

Boiling Point

-

329 (5)

-

338

-

304 to 353

°C

Surface Tension

-

39.8 (2)

-

39.8

-

39.1 to 40.6

dyn/cm

Thermal Conductivity

-

143 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

4.18e-05 (4)

-

3.35e-05

-

6.49e-06 to 9.39e-05

mmHg

Viscosity

-

13.9 (1)

- - - -

cP

LogKoa: Octanol-Air

-

8.17 (1)

- - - - -

Henry's Law

-

2.06e-06 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.56 (1)

- - - - -

Molar Refractivity

-

75.9 (1)

- - - -

cm^3

Molar Volume

-

236 (1)

- - - -

cm^3

Polarizability

-

30.1 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

2.82 (5)

2.79

1.63 to 3.75

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.17

Not Available

Not Available

NICEATM

1.63

Not Available

Available

ACD/Labs Consensus

2.77

Not Available

Not Available

ACD/Labs

2.79

Not Available

Not Available

OPERA

3.75

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

1.19e-02 (4)

1.48e-03

4.95e-04 to 4.40e-02

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.40e-02 mol/L

Not Available

Not Available

NICEATM

4.95e-04 mol/L

Not Available

Available

OPERA

1.09e-03 mol/L

OPERA Model Report

Available

TEST

1.87e-03 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.03 (2)

1.03

1.02 to 1.05

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.02 g/cm^3

Not Available

Not Available

TEST

1.05 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

171 (2)

171

164 to 177

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

164 °C

Not Available

Not Available

TEST

177 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

115 (4)

115

88.1 to 143

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

102 °C

Not Available

Not Available

NICEATM

128 °C

Not Available

Available

TEST

88.1 °C

TEST Report

Not Available

OPERA

143 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

329 (5)

338

304 to 353

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

338 °C

Not Available

Not Available

NICEATM

304 °C

Not Available

Available

ACD/Labs

348 °C

Not Available

Not Available

TEST

304 °C

TEST Report

Not Available

OPERA

353 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

39.8 (2)

39.8

39.1 to 40.6

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

40.6 dyn/cm

Not Available

Not Available

TEST

39.1 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

143 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

143 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

4.18e-05 (4)

3.35e-05

6.49e-06 to 9.39e-05

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

9.39e-05 mmHg

Not Available

Available

ACD/Labs

5.07e-05 mmHg

Not Available

Not Available

TEST

6.49e-06 mmHg

TEST Report

Not Available

OPERA

1.63e-05 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

13.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

13.9 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

8.17 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.17

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

2.06e-06 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.06e-06 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.56 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.56

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

75.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

75.9 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

236 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

236 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

30.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

30.1 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

390 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.44e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.36 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.32 (1)

- - - -

days

Bioconcentration Factor

-

108 (3)

-

158

-

2.39 to 163

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

390 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

390 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.44e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.44e-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

1.32 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.32 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

108 (3)

158

2.39 to 163

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.39

Not Available

Available

TEST

158

TEST Report

Not Available

OPERA

163

OPERA Model Report

Available

Found 30 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Pheniramine
N,N-Dimethyl-3-phenyl-3-(pyridin-2-yl)propan-1-amine
2-Pyridinepropanamine, N,N-dimethyl-gamma-phenyl-
86-21-5 Active CAS-RN
5-22-10-00487 Beilstein Registry Number
2-Pyridinepropanamine, N,N-dimethyl-γ-phenyl-
(.+-.)-Pheniramine
1-Phenyl-1-(2-pyridyl)-3-di-methylaminopropane
2-[α-(2-Dimethylaminoethyl)benzyl]pyridine
3-Phenyl-3-(2-pyridyl)-N,N-dimethylpropylamine
feniramina
NSC 47965
Pheniramin
Propheniramine
Prophenpyridamine
Pyridine, 2-[α-[2-(dimethylamino)ethyl]benzyl]-
Pyriton
Tripoton
BRN 0192445
2-(alpha-(2-Dimethylaminoethyl)benzyl)pyridine
2-(3-Dimethylamino-1-phenylpropyl)pyridine
N,N-Dimethyl-3-phenyl-3-(2-pyridyl)propylamine
EINECS 201-656-2
Feniramine
NCI-C60695
1-Phenyl-1-(2-pyridyl)-3-dimethylaminopropane
3-Phenyl-3-(2-pyridyl)-N,N-dimethylpropylanine
2-Pyridinepropanamine, N,N-dimethyl-gamma-phenyl-
Pheniraminum
UNII-134FM9ZZ6M FDA Registry Number
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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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