Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
N-Methyl-L-alanine |
EINECS | 1533716-785-6 |
CAS No. | 3913-67-5 | Density | 1.048 g/cm3 |
PSA | 49.33000 | LogP | 0.06980 |
Solubility | N/A | Melting Point |
315-317 °C (decomp) |
Formula | C4H9NO2 | Boiling Point | 190.1 °C at 760 mmHg |
Molecular Weight | 103.121 | Flash Point | 68.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Alanine,N-methyl-, L- (7CI,8CI);(S)-N-Methylalanine;2-(Methylamino)propanoic acid;N-Methylalanine;a-(Methylamino)propionic acid; |
Article Data | 47 |
A
N-methylalanine
B
N-methyl-D-alanine
Conditions | Yield |
---|---|
With lithium hydroxide In tetrahydrofuran at 0℃; Title compound not separated from byproducts; | A n/a B 94% |
N-methylalanine
Conditions | Yield |
---|---|
With lithium hydroxide In tetrahydrofuran at 0℃; | 91% |
N-methylalanine
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In methanol | 91% |
Conditions | Yield |
---|---|
With sodium dihydrogenphosphate; zinc at 30℃; for 0.25h; | 85% |
Conditions | Yield |
---|---|
In water at 15 - 30℃; Autoclave; Sealed tube; | 81.4% |
Conditions | Yield |
---|---|
In water | |
With lead(II) hydroxide on calcium carbonate; water |
N-(tert-butoxycarbonyl)-N-methyl-L-alanine
N-methylalanine
Conditions | Yield |
---|---|
With trifluoroacetic acid |
Nα-4-toluenesulfonyl-Nα-methylalanine
N-methylalanine
Conditions | Yield |
---|---|
With hydrogen bromide; acetic acid |
(S)-2-[Methyl-(toluene-4-sulfonyl)-amino]-propionic acid isopropyl ester
N-methylalanine
Conditions | Yield |
---|---|
With hydrogen bromide; phenol | |
With hydrogen bromide; phenol In water for 0.5h; Heating; |
(-)-N-methyl-N-benzyl-(S)-Ala
N-methylalanine
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In acetic acid |
The IUPAC name of N-Methyl-L-alanine is (2S)-2-(methylamino)propanoic acid. With the CAS registry number 3913-67-5, it is also named as L-Alanine, N-methyl-. The product's categories are Amino Acid Derivatives; N-Methyl Amino Acids; N-Methyl Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. Besides, it should be sealed in dark, ventilated and dry place. This chemical is apharmaceutical intermediate and fine industrial chemical. In addition, its molecular formula is C4H9NO2 and molecular weight is 103.12.
The other characteristics of N-Methyl-L-alanine can be summarized as: (1)ACD/LogP: -0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.94; (4)ACD/LogD (pH 7.4): -2.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 25.69 cm3; (15)Molar Volume: 98.3 cm3; (16)Polarizability: 10.18×10-24cm3; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 1.048 g/cm3; (19)Flash Point: 68.8 °C; (20)Enthalpy of Vaporization: 46.99 kJ/mol; (21)Boiling Point: 190.1 °C at 760 mmHg; (22)Vapour Pressure: 0.244 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@@H](NC)C
(2)InChI: InChI=1/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1
(3)InChIKey: GDFAOVXKHJXLEI-VKHMYHEABL
(4)Std. InChI: InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1
(5)Std. InChIKey: GDFAOVXKHJXLEI-VKHMYHEASA-N