Success!
Failed to copy.
4,4-Dimethylpiperidinium chloride
38646-68-3 | DTXSID10191958
Searched by CAS-RN: Found 1 result for '38646-68-3'.

Intrinsic Properties
Molecular Formula: C7H16ClN
Average Mass: 149.66 g/mol
Monoisotopic Mass: 149.097127 g/mol
Structural Identifiers
IUPAC Name: 4,4-Dimethylpiperidine--hydrogen chloride (1/1)
SMILES: Cl.CC1(C)CCNCC1
InChI String: InChI=1S/C7H15N.ClH/c1-7(2)3-5-8-6-4-7;/h8H,3-6H2,1-2H3;1H
Presence in Lists

Record Information
Citation
U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID10191958 (accessed April 22, 2018), 4,4-Dimethylpiperidinium chloride
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
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 |
- |
1.68 (4) |
- |
1.77 |
- |
1.22 to 1.97 |
- |
Water Solubility |
- |
3.69e-01 (3) |
- |
3.24e-01 |
- |
7.52e-02 to 7.08e-01 |
mol/L |
Density |
- |
8.29e-01 (1) |
- | - | - | - |
g/cm^3 |
Flash Point |
- |
31.0 (2) |
- |
31.0 |
- |
24.9 to 37.2 |
°C |
Melting Point |
- |
62.9 (3) |
- |
1.16 |
- |
-21.8 to 209 |
°C |
Boiling Point |
- |
140 (4) |
- |
140 |
- |
133 to 145 |
°C |
Surface Tension |
- |
26.5 (1) |
- | - | - | - |
dyn/cm |
Thermal Conductivity |
- |
134 (1) |
- | - | - | - |
mW/(m*K) |
Vapor Pressure |
- |
7.15 (4) |
- |
5.93 |
- |
1.22 to 15.5 |
mmHg |
Viscosity |
- |
2.86 (1) |
- | - | - | - |
cP |
LogKoa: Octanol-Air |
- |
4.79 (1) |
- | - | - | - | - |
Henry's Law |
- |
1.06e-05 (1) |
- | - | - | - |
atm-m3/mole |
LogP: Octanol-Water |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
1.68 (4) |
1.77 |
1.22 to 1.97 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
NICEATM |
1.22 |
Not Available |
Available |
|
ACD/Labs Consensus |
1.75 |
Not Available |
Not Available |
|
ACD/Labs |
1.97 |
Not Available |
Not Available |
|
OPERA |
1.79 |
OPERA Model Report |
Available |
Water Solubility |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
3.69e-01 (3) |
3.24e-01 |
7.52e-02 to 7.08e-01 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
NICEATM |
7.08e-01 mol/L |
Not Available |
Available |
|
OPERA |
3.24e-01 mol/L |
OPERA Model Report |
Available |
|
TEST |
7.52e-02 mol/L |
TEST Report |
Not Available |
Density |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
8.29e-01 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
TEST |
8.29e-01 g/cm^3 |
TEST Report |
Not Available |
Flash Point |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
31.0 (2) |
31.0 |
24.9 to 37.2 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
24.9 °C |
Not Available |
Not Available |
|
TEST |
37.2 °C |
TEST Report |
Not Available |
Melting Point |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
62.9 (3) |
1.16 |
-21.8 to 209 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
NICEATM |
-21.8 °C |
Not Available |
Available |
|
OPERA |
209 °C |
OPERA Model Report |
Available |
|
TEST |
1.16 °C |
TEST Report |
Not Available |
Boiling Point |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
140 (4) |
140 |
133 to 145 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
NICEATM |
133 °C |
Not Available |
Available |
|
ACD/Labs |
145 °C |
Not Available |
Not Available |
|
OPERA |
139 °C |
OPERA Model Report |
Available |
|
TEST |
141 °C |
TEST Report |
Not Available |
Surface Tension |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
26.5 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
TEST |
26.5 dyn/cm |
TEST Report |
Not Available |
Thermal Conductivity |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
134 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
TEST |
134 mW/(m*K) |
TEST Report |
Not Available |
Vapor Pressure |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
7.15 (4) |
5.93 |
1.22 to 15.5 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
NICEATM |
7.02 mmHg |
Not Available |
Available |
|
ACD/Labs |
4.85 mmHg |
Not Available |
Not Available |
|
OPERA |
15.5 mmHg |
OPERA Model Report |
Available |
|
TEST |
1.22 mmHg |
TEST Report |
Not Available |
Viscosity |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
2.86 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
TEST |
2.86 cP |
TEST Report |
Not Available |
LogKoa: Octanol-Air |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
4.79 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
4.79 |
OPERA Model Report |
Available |
Henry's Law |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
1.06e-05 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
1.06e-05 atm-m3/mole |
OPERA Model Report |
Available |
Property |
Average |
Median |
Range |
Unit |
|||
---|---|---|---|---|---|---|---|
Experimental |
Predicted |
Experimental |
Predicted |
Experimental |
Predicted |
||
Soil Adsorp. Coeff. |
- |
158 (1) |
- | - | - | - |
L/kg |
Atmos. Hydroxylation Rate |
- |
1.06e-11 (1) |
- | - | - | - |
cm3/molecule*sec |
Biodeg. Half-Life |
- |
10.6 (1) |
- | - | - | - |
days |
Fish Biotrans. Half-Life (Km) |
- |
1.58e-01 (1) |
- | - | - | - |
days |
Bioconcentration Factor |
- |
6.41 (3) |
- |
8.85 |
- |
1.14 to 9.23 |
- |
Soil Adsorp. Coeff. |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
158 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
158 L/kg |
OPERA Model Report |
Available |
Atmos. Hydroxylation Rate |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
1.06e-11 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
1.06e-11 cm3/molecule*sec |
OPERA Model Report |
Available |
Biodeg. Half-Life |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
10.6 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
10.6 days |
OPERA Model Report |
Available |
Fish Biotrans. Half-Life (Km) |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
1.58e-01 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
1.58e-01 days |
OPERA Model Report |
Available |
Bioconcentration Factor |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
6.41 (3) |
8.85 |
1.14 to 9.23 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
NICEATM |
1.14 |
Not Available |
Available |
|
OPERA |
9.23 |
OPERA Model Report |
Available |
|
TEST |
8.85 |
TEST Report |
Not Available |

Found 5 synonyms
- Legend:
- Valid Synonyms
- Good Synonyms
- Other Synonyms
4,4-Dimethylpiperidinium chloride |
4,4-Dimethylpiperidine--hydrogen chloride (1/1) |
Piperidine, 4,4-dimethyl-, hydrochloride (1:1) |
38646-68-3 Active CAS-RN |
EINECS 254-058-9 |




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
