Success!

Failed to copy.

Pyrilamine
91-84-9 | DTXSID9023542

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

Image not found
Wikipedia
Imgnotfound
Intrinsic Properties

Molecular Formula: C17H23N3O

Average Mass: 285.391 g/mol

Monoisotopic Mass: 285.184112 g/mol

Structural Identifiers

IUPAC Name: N1-[(4-Methoxyphenyl)methyl]-N2,N2-dimethyl-N1-(pyridin-2-yl)ethane-1,2-diamine

SMILES: COC1=CC=C(CN(CCN(C)C)C2=NC=CC=C2)C=C1

InChI String: InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3

InChIKey: YECBIJXISLIIDS-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID9023542 (accessed July 16, 2018), Pyrilamine

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

3.27 (1)

2.82 (5)

-

2.81

3.27

2.23 to 3.25

-

Water Solubility

-

9.87e-04 (4)

-

8.06e-04

-

3.32e-04 to 2.00e-03

mol/L

Density

-

1.08 (2)

-

1.08

-

1.08 to 1.09

g/cm^3

Flash Point

-

206 (2)

-

206

-

203 to 210

°C

Melting Point

-

115 (4)

-

125

-

68.7 to 139

°C

Boiling Point

-

350 (5)

-

331

-

302 to 424

°C

Surface Tension

-

41.9 (2)

-

41.9

-

39.2 to 44.6

dyn/cm

Vapor Pressure

-

1.15e-06 (4)

-

3.46e-07

-

1.46e-07 to 3.75e-06

mmHg

Viscosity

-

19.1 (1)

- - - -

cP

LogKoa: Octanol-Air

-

9.87 (1)

- - - - -

Henry's Law

-

6.34e-06 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.58 (1)

- - - - -

Molar Refractivity

-

87.4 (1)

- - - -

cm^3

Molar Volume

-

262 (1)

- - - -

cm^3

Polarizability

-

34.7 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

3.27 (1)

-

3.27

Predicted

2.82 (5)

2.81

2.23 to 3.25

Experimental

Source

Result

PhysPropNCCT

3.27

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.81

Not Available

Not Available

NICEATM

2.23

Not Available

Available

ACD/Labs Consensus

3.05

Not Available

Not Available

ACD/Labs

2.75

Not Available

Not Available

OPERA

3.25

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

9.87e-04 (4)

8.06e-04

3.32e-04 to 2.00e-03

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

8.58e-04 mol/L

Not Available

Not Available

NICEATM

7.53e-04 mol/L

Not Available

Available

TEST

2.00e-03 mol/L

TEST Report

Not Available

OPERA

3.32e-04 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.08 (2)

1.08

1.08 to 1.09

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.09 g/cm^3

Not Available

Not Available

TEST

1.08 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

206 (2)

206

203 to 210

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

210 °C

Not Available

Not Available

TEST

203 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

115 (4)

125

68.7 to 139

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

139 °C

Not Available

Not Available

NICEATM

121 °C

Not Available

Available

TEST

68.7 °C

TEST Report

Not Available

OPERA

130 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

350 (5)

331

302 to 424

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

380 °C

Not Available

Not Available

NICEATM

302 °C

Not Available

Available

ACD/Labs

424 °C

Not Available

Not Available

TEST

313 °C

TEST Report

Not Available

OPERA

331 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

41.9 (2)

41.9

39.2 to 44.6

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

44.6 dyn/cm

Not Available

Not Available

TEST

39.2 dyn/cm

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

1.15e-06 (4)

3.46e-07

1.46e-07 to 3.75e-06

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.46e-07 mmHg

Not Available

Available

ACD/Labs

2.17e-07 mmHg

Not Available

Not Available

TEST

3.75e-06 mmHg

TEST Report

Not Available

OPERA

4.74e-07 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

19.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

19.1 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

9.87 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.87

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

6.34e-06 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.34e-06 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.58 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.58

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

87.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

87.4 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

262 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

262 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

34.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

34.7 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

942 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.76e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.29 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

2.18 (1)

- - - -

days

Bioconcentration Factor

-

1750 (3)

-

67.6

-

14.8 to 5160

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

942 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

942 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.76e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.76e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.29 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.29 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

2.18 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.18 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1750 (3)

67.6

14.8 to 5160

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5160

Not Available

Available

TEST

67.6

TEST Report

Not Available

OPERA

14.8

OPERA Model Report

Available

Found 55 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Pyrilamine
N1-[(4-Methoxyphenyl)methyl]-N2,N2-dimethyl-N1-(pyridin-2-yl)ethane-1,2-diamine
1,2-Ethanediamine, N1-[(4-methoxyphenyl)methyl]-N2,N2-dimethyl-N1-2-pyridinyl-
91-84-9 Active CAS-RN
Mepyramine
5-22-08-00381 Beilstein Registry Number
1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyridinyl-
1,2-Ethanediamine, N1-[(4-methoxyphenyl)methyl]-N2,N2-dimethyl-N1-2-pyridinyl-
2-[(2-Dimethylaminoethyl)(p-methoxybenzyl)amino]pyridine
2-[N-(2-dimethylaminoethyl)-N-(p-methoxybenzyl)amino]-pyridine
Afko-Hist
Anhistabs
Anhistol
Antalergan
Antallergan
Anthisan
Copsamine
Coradon
Dorantamin
Harvamine
Histacap
Histasan
Kriptin
Maranhist
mepiramina
Mepyramin
Mepyren
Neoantergan
Neo-Bridal
N-p-Methoxybenzyl-N',N'-dimethyl-N-α-pyridylethylenediamine
NSC 13136
Nyscaps
Pyranisamine
Pyridine, 2-[[2-(dimethylamino)ethyl](p-methoxybenzyl)amino]-
Statomin
Wait's green mountain antihistamine
BRN 0269019
2-((2-(Dimethylamino)ethyl)-(p-methoxybenzyl)amino)pyridine
EINECS 202-102-2
Mepiramine
2-((p-Methoxybenzyl)(2-(dimethylamino)ethyl)amino)pyridine
N-(p-Methoxybenzyl)-N',N'-dimethyl-N-2-pyridyl-1,2-ethanediamine
N-p-Methoxybenzyl-N',N'-dimethyl-N-alpha-pyridylethylenediamine
N-(p-Methoxybenzyl)-N',N'-dimethyl-N-2-pyridylethylenediamine
N-((4-Methoxyphenyl)methyl)-N',N'-dimethyl-N-2-pyridinyl-1,2-ethanediamine
NCI-C60651
N-para-Methoxybenzyl-N',N'-dimethyl-N-alpha-pyridylethylenediamine
N-(para-Methoxybenzyl)-N',N'-dimethyl-N-2-pyridylethylenediamine
Pyridine, 2-((p-methoxybenzyl)(2-(dimethylamino)ethyl)amino)-
Mepyraminum
p-Methoxybenzyl-alpha-pyridyl-dimethyl-aethylendiamin
UNII-HPE317O9TL FDA Registry Number
N',N'-dimethyl-N-(p-methoxybenzyl)-N-(2-pyridyl)ethylenediamine
N-(p-methoxybenzyl)-N',N'-dimethyl-N-(alpha-pyridyl)ethylenediamine
N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyridinyl-1,2-ethanediamine
Imgnotfound
Imgnotfound
Imgnotfound
Imgnotfound

National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

3290th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

3.58e-07

2.30e-05

Ages 12-19

2.22e-07

1.31e-05

Ages 20-65

2.35e-07

1.74e-05

Ages 65+

2.21e-07

1.53e-05

BMI > 30

1.75e-07

1.09e-05

BMI < 30

2.47e-07

1.62e-05

Repro. Age Females

2.22e-07

1.89e-05

Females

1.72e-07

1.10e-05

Males

1.77e-07

1.12e-05

Total

2.11e-07

1.51e-05

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