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L-Alanine,3-(methylamino)- (15920-93-1)

Identification
Name:L-Alanine,3-(methylamino)-
Synonyms:Propionicacid, 2-amino-3-(methylamino)-, L- (8CI);3-(Methylamino)-L-alanine;BMMA;L-(b-Methylamino)alanine;L-a-Amino-b-(methylamino)propionic acid;S(+)-b-Methyl-a,b-diaminopropionic acid;b-(N-Methylamino)-L-alanine;
CAS:15920-93-1
Molecular Formula: C4H10N2O2
Molecular Weight: 118.1344
InChI: InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1
Molecular Structure: (C4H10N2O2) Propionicacid, 2-amino-3-(methylamino)-, L- (8CI);3-(Methylamino)-L-alanine;BMMA;L-(b-Methylamino)al...
Properties
Density:1.157 g/cm3
Refractive index:1.484
Water Solubility:H2O: solutions may be stored for several days at 4?#x00b0;Csoluble
Solubility:H2O: solutions may be stored for several days at 4?#x00b0;Csoluble
Specification:

The CAS register number of 3-(N-Methylamino)-L-alanine is 15920-93-1. It also can be called as L-Alanine, 3-(methylamino)- and the IUPAC name about this chemical is (2S)-2-amino-3-(methylamino)propanoic acid. It belongs to the following product categories, such as Amino Acids, Amino Acids & Derivatives, Neurochemicals and so on. When you are using it, please avoid contact with skin and eyes and do not breathe dust.

Physical properties about 3-(N-Methylamino)-L-alanine are: (1)ACD/LogP: -0.85; (2)ACD/LogD (pH 5.5): -4.03; (3)ACD/LogD (pH 7.4): -3.38; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 32.78Å2; (12)Index of Refraction: 1.484; (13)Molar Refractivity: 29.23 cm3; (14)Molar Volume: 102 cm3; (15)Polarizability: 11.58x10-24cm3; (16)Surface Tension: 47.1 dyne/cm; (17)Enthalpy of Vaporization: 57.57 kJ/mol; (18)Boiling Point: 284.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000783 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)CNC
(2)InChI: InChI=1/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1
(3)InChIKey: UJVHVMNGOZXSOZ-VKHMYHEABZ
(4)Std. InChI: InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1
(5)Std. InChIKey: UJVHVMNGOZXSOZ-VKHMYHEASA-N

Biological Activity: Neurotoxic glutamate agonist originally isolated from Cycas circinalis. Implicated in the pathogenesis of amyotrophic lateral sclerosis-Parkinsonism-dementia complex of Guam (Guam ALS-PD).
Storage Temperature: −20°C
Color: white
Safety Data
 

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