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N-desmethylpheniramine
19428-44-5 | DTXSID60891491
Searched by Approved Name: Found 1 result for 'N-desmethylpheniramine'.
N-desmethylpheniramine
Intrinsic Properties
Molecular Formula: C15H18N2
Average Mass: 226.323 g/mol
Monoisotopic Mass: 226.146999 g/mol
Structural Identifiers
IUPAC Name: N-Methyl-3-phenyl-3-(2-pyridinyl)-1-propanamine
SMILES: CNCCC(C1=CC=CC=C1)C1=NC=CC=C1
InChI String: InChI=1S/C15H18N2/c1-16-12-10-14(13-7-3-2-4-8-13)15-9-5-6-11-17-15/h2-9,11,14,16H,10,12H2,1H3
Presence in Lists
Record Information
Citation
U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID60891491 (accessed April 24, 2018), N-desmethylpheniramine
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
Quality Control Notes
Transformation product of DTXSID0023454 confirmed with ref std, ref std and NMR, respectively described in 10.1021/acs.est.5b05186.
|
Property |
Average |
Median |
Range |
Unit |
|||
|---|---|---|---|---|---|---|---|
|
Experimental |
Predicted |
Experimental |
Predicted |
Experimental |
Predicted |
||
LogP: Octanol-Water |
- |
2.54 (1) |
- | - | - | - | - |
Water Solubility |
- |
3.89e-03 (1) |
- | - | - | - |
mol/L |
Melting Point |
- |
126 (1) |
- | - | - | - |
°C |
Boiling Point |
- |
329 (1) |
- | - | - | - |
°C |
Vapor Pressure |
- |
1.49e-05 (1) |
- | - | - | - |
mmHg |
LogKoa: Octanol-Air |
- |
9.71 (1) |
- | - | - | - | - |
Henry's Law |
- |
2.78e-07 (1) |
- | - | - | - |
atm-m3/mole |
|
LogP: Octanol-Water |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
2.54 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
2.54 |
OPERA Model Report |
Available |
|
|
Water Solubility |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
3.89e-03 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
3.89e-03 mol/L |
OPERA Model Report |
Available |
|
|
Melting Point |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
126 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
126 °C |
OPERA Model Report |
Available |
|
|
Boiling Point |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
329 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
329 °C |
OPERA Model Report |
Available |
|
|
Vapor Pressure |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
1.49e-05 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
1.49e-05 mmHg |
OPERA Model Report |
Available |
|
|
LogKoa: Octanol-Air |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
9.71 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
9.71 |
OPERA Model Report |
Available |
|
|
Henry's Law |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
2.78e-07 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
2.78e-07 atm-m3/mole |
OPERA Model Report |
Available |
|
|
Property |
Average |
Median |
Range |
Unit |
|||
|---|---|---|---|---|---|---|---|
|
Experimental |
Predicted |
Experimental |
Predicted |
Experimental |
Predicted |
||
Soil Adsorp. Coeff. |
- |
173 (1) |
- | - | - | - |
L/kg |
Atmos. Hydroxylation Rate |
- |
1.45e-11 (1) |
- | - | - | - |
cm3/molecule*sec |
Biodeg. Half-Life |
- |
3.34 (1) |
- | - | - | - |
days |
Fish Biotrans. Half-Life (Km) |
- |
6.06e-01 (1) |
- | - | - | - |
days |
Bioconcentration Factor |
- |
37.7 (1) |
- | - | - | - | - |
|
Soil Adsorp. Coeff. |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
173 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
173 L/kg |
OPERA Model Report |
Available |
|
|
Atmos. Hydroxylation Rate |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
1.45e-11 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
1.45e-11 cm3/molecule*sec |
OPERA Model Report |
Available |
|
|
Biodeg. Half-Life |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
3.34 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
3.34 days |
OPERA Model Report |
Available |
|
|
Fish Biotrans. Half-Life (Km) |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
6.06e-01 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
6.06e-01 days |
OPERA Model Report |
Available |
|
|
Bioconcentration Factor |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
37.7 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
37.7 |
OPERA Model Report |
Available |
|
Found 4 synonyms
- Legend:
- Valid Synonyms
- Good Synonyms
- Other Synonyms
| N-desmethylpheniramine |
| N-Methyl-3-phenyl-3-(2-pyridinyl)-1-propanamine |
| 2-Pyridinepropanamine, N-methyl-gamma-phenyl- |
| 19428-44-5 Active CAS-RN |
National Health and Nutrition Examination Survey (NHANES) Inferences
There is no exposure monitoring data available.
Exposure Predictions
There is no exposure data available.
PubChem Articles
PubChem Patents
Searched with a similarity threshold of 0.8
Executive Summary