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beta-N-Methylamino-L-alanine
15920-93-1 | DTXSID60166611
Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID60166611'.

Wikipedia

Intrinsic Properties
Molecular Formula: C4H10N2O2
Average Mass: 118.136 g/mol
Monoisotopic Mass: 118.074228 g/mol
Structural Identifiers
IUPAC Name: 3-(Methylamino)-L-alanine
SMILES: CNC[C@H](N)C(O)=O
InChI String: InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1
Presence in Lists

Record Information
Citation
U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID60166611 (accessed April 24, 2018), beta-N-Methylamino-L-alanine
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 |
- |
-2.14 (5) |
- |
-1.19 |
- |
-4.00 to -0.849 |
- |
Water Solubility |
- |
5.94 (3) |
- |
2.90 |
- |
2.29 to 12.7 |
mol/L |
Density |
- |
1.14 (2) |
- |
1.14 |
- |
1.11 to 1.16 |
g/cm^3 |
Flash Point |
- |
125 (2) |
- |
125 |
- |
124 to 126 |
°C |
Melting Point |
- |
197 (4) |
- |
202 |
- |
87.8 to 294 |
°C |
Boiling Point |
- |
288 (5) |
- |
261 |
- |
233 to 414 |
°C |
Surface Tension |
- |
40.0 (2) |
- |
40.0 |
- |
32.9 to 47.2 |
dyn/cm |
Thermal Conductivity |
- |
232 (1) |
- | - | - | - |
mW/(m*K) |
Vapor Pressure |
- |
2.91e-04 (4) |
- |
1.89e-04 |
- |
3.78e-06 to 7.83e-04 |
mmHg |
Viscosity |
- |
8.53 (1) |
- | - | - | - |
cP |
LogKoa: Octanol-Air |
- |
6.77 (1) |
- | - | - | - | - |
Henry's Law |
- |
1.09e-08 (1) |
- | - | - | - |
atm-m3/mole |
Index of Refraction |
- |
1.49 (1) |
- | - | - | - | - |
Molar Refractivity |
- |
29.2 (1) |
- | - | - | - |
cm^3 |
Molar Volume |
- |
102 (1) |
- | - | - | - |
cm^3 |
Polarizability |
- |
11.6 (1) |
- | - | - | - |
Å^3 |
LogP: Octanol-Water |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
-2.14 (5) |
-1.19 |
-4.00 to -0.849 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
EPISUITE |
-4.00 |
Not Available |
Not Available |
|
NICEATM |
-3.80 |
Not Available |
Available |
|
ACD/Labs Consensus |
-0.869 |
Not Available |
Not Available |
|
ACD/Labs |
-0.849 |
Not Available |
Not Available |
|
OPERA |
-1.19 |
OPERA Model Report |
Available |
Water Solubility |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
5.94 (3) |
2.90 |
2.29 to 12.7 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
NICEATM |
12.7 mol/L |
Not Available |
Available |
|
OPERA |
2.90 mol/L |
OPERA Model Report |
Available |
|
TEST |
2.29 mol/L |
TEST Report |
Not Available |
Density |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
1.14 (2) |
1.14 |
1.11 to 1.16 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
1.16 g/cm^3 |
Not Available |
Not Available |
|
TEST |
1.11 g/cm^3 |
TEST Report |
Not Available |
Flash Point |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
125 (2) |
125 |
124 to 126 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
126 °C |
Not Available |
Not Available |
|
TEST |
124 °C |
TEST Report |
Not Available |
Melting Point |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
197 (4) |
202 |
87.8 to 294 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
EPISUITE |
294 °C |
Not Available |
Not Available |
|
NICEATM |
218 °C |
Not Available |
Available |
|
TEST |
186 °C |
TEST Report |
Not Available |
|
OPERA |
87.8 °C |
OPERA Model Report |
Available |
Boiling Point |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
288 (5) |
261 |
233 to 414 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
EPISUITE |
414 °C |
Not Available |
Not Available |
|
NICEATM |
250 °C |
Not Available |
Available |
|
ACD/Labs |
284 °C |
Not Available |
Not Available |
|
TEST |
233 °C |
TEST Report |
Not Available |
|
OPERA |
261 °C |
OPERA Model Report |
Available |
Surface Tension |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
40.0 (2) |
40.0 |
32.9 to 47.2 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
47.2 dyn/cm |
Not Available |
Not Available |
|
TEST |
32.9 dyn/cm |
TEST Report |
Not Available |
Thermal Conductivity |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
232 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
TEST |
232 mW/(m*K) |
TEST Report |
Not Available |
Vapor Pressure |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
2.91e-04 (4) |
1.89e-04 |
3.78e-06 to 7.83e-04 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
NICEATM |
2.97e-05 mmHg |
Not Available |
Available |
|
ACD/Labs |
7.83e-04 mmHg |
Not Available |
Not Available |
|
TEST |
3.49e-04 mmHg |
TEST Report |
Not Available |
|
OPERA |
3.78e-06 mmHg |
OPERA Model Report |
Available |
Viscosity |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
8.53 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
TEST |
8.53 cP |
TEST Report |
Not Available |
LogKoa: Octanol-Air |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
6.77 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
6.77 |
OPERA Model Report |
Available |
Henry's Law |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
1.09e-08 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
1.09e-08 atm-m3/mole |
OPERA Model Report |
Available |
Index of Refraction |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
1.49 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
1.49 |
Not Available |
Not Available |
Molar Refractivity |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
29.2 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
29.2 cm^3 |
Not Available |
Not Available |
Molar Volume |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
102 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
102 cm^3 |
Not Available |
Not Available |
Polarizability |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
11.6 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
11.6 Å^3 |
Not Available |
Not Available |
Property |
Average |
Median |
Range |
Unit |
|||
---|---|---|---|---|---|---|---|
Experimental |
Predicted |
Experimental |
Predicted |
Experimental |
Predicted |
||
Soil Adsorp. Coeff. |
- |
9.75 (1) |
- | - | - | - |
L/kg |
Atmos. Hydroxylation Rate |
- |
8.00e-12 (1) |
- | - | - | - |
cm3/molecule*sec |
Biodeg. Half-Life |
- |
3.54 (1) |
- | - | - | - |
days |
Fish Biotrans. Half-Life (Km) |
- |
8.59e-02 (1) |
- | - | - | - |
days |
Bioconcentration Factor |
- |
1.32 (3) |
- |
5.44e-01 |
- |
1.64e-01 to 3.26 |
- |
Soil Adsorp. Coeff. |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
9.75 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
9.75 L/kg |
OPERA Model Report |
Available |
Atmos. Hydroxylation Rate |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
8.00e-12 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
8.00e-12 cm3/molecule*sec |
OPERA Model Report |
Available |
Biodeg. Half-Life |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
3.54 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
3.54 days |
OPERA Model Report |
Available |
Fish Biotrans. Half-Life (Km) |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
8.59e-02 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
8.59e-02 days |
OPERA Model Report |
Available |
Bioconcentration Factor |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
1.32 (3) |
5.44e-01 |
1.64e-01 to 3.26 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
NICEATM |
5.44e-01 |
Not Available |
Available |
|
TEST |
1.64e-01 |
TEST Report |
Not Available |
|
OPERA |
3.26 |
OPERA Model Report |
Available |

Found 12 synonyms
- Legend:
- Valid Synonyms
- Good Synonyms
- Other Synonyms
beta-N-Methylamino-L-alanine |
3-(Methylamino)-L-alanine |
L-Alanine, 3-(methylamino)- |
15920-93-1 Active CAS-RN |
3-(Methylamino)-L-alanine |
UNII-108SA6URTV FDA Registry Number |
beta-(N-Methylamino)-L-alanine |
Propionic acid, alpha-amino-beta-methylamino- |
BMAA |
L-alpha-amino-beta-(methylamino)propanoic acid |
L-alpha-amino-beta-(methylamino)propionic acid |
L-BMAA |




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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