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| CAS No.: | 6384-92-5 |
|---|---|
| Name: | N-Methyl-D-aspartic acid |
| Molecular Structure: | |
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| Formula: | C5H9NO4 |
| Molecular Weight: | 147.131 |
| Synonyms: | Asparticacid, N-methyl-, D- (8CI);N-Methyl-D-aspartic acid;NMDA; |
| EINECS: | 227-012-0 |
| Density: | 1.343 g/cm3 |
| Melting Point: | 187-192 °C |
| Boiling Point: | 258.237 °C at 760 mmHg |
| Flash Point: | 109.978 °C |
| Solubility: | Slightly soluble in water |
| Appearance: | white to off-white crystalline powder |
| Safety: | 22-24/25 |
| PSA: | 86.63000 |
| LogP: | -0.47540 |
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- 6384-92-5
N-methyl-D-aspartate
| Conditions | Yield |
|---|---|
| With lithium hydroxide In tetrahydrofuran at 0℃; | 94% |
- 6384-92-5
N-methyl-D-aspartate
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; water In methanol at 30 - 50℃; for 0.0833333h; Autoclave; | 70.92% |
| Conditions | Yield |
|---|---|
| (i) TsCl, aq. NaOH, (ii) /BRN= 635994/, (iii) Na, liq. NH3; Multistep reaction; |
- 6384-92-5
N-methyl-D-aspartate
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide |
| Conditions | Yield |
|---|---|
| With sodium carbonate |
A
- 6384-92-5
N-methyl-D-aspartate
| Conditions | Yield |
|---|---|
| With phosphate buffer Quantum yield; Ambient temperature; Irradiation; different buffers; pH: 3.5-10.8; rate of decay of intermediate; |
- 6384-92-5
N-methyl-D-aspartate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 78 percent / Zn, 1N HCl/AcOH / 48 h / 0 °C 2: 94 percent / 1N LiOH / tetrahydrofuran / 0 °C View Scheme |
- 17833-53-3
N-methyl-DL-aspartic acid
- 6384-92-5
N-methyl-D-aspartate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 3: aq. H2O2 View Scheme |
- 144300-47-0
N-methylaspartic acid dimethyl ester
- 6384-92-5
N-methyl-D-aspartate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: H2O 4: aq. H2O2 View Scheme |
- 89464-62-0
(+/-)-N-Formyl-N-methyl-asparaginsaeure
- 6384-92-5
N-methyl-D-aspartate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 2: aq. H2O2 View Scheme |
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Specification
The CAS register number of N-Methyl-D-aspartic acid is 6384-92-5. It also can be called as (R)-2-(Methylamino)succinic acid and the IUPAC name about this chemical is (2R)-2-(methylamino)butanedioic acid. The molecular formula about this chemical is C5H9NO4 and the molecular weight is 147.13. It belongs to the following product categories which include Glutamate receptor; Glutamate and so on. When you are using it, please do not breathe dust and avoid contact with skin and eyes. This chemical is an amino acid that as the D-isomer, it is the defining agonist for the NMDA receptor subtype of glutamate receptors (RECEPTORS, NMDA).
Physical properties about N-Methyl-D-aspartic acid are: (1)ACD/LogP: -0.44; (2)ACD/LogD (pH 5.5): -3.85; (3)ACD/LogD (pH 7.4): -3.94; (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: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 55.84Å2; (12)Index of Refraction: 1.494; (13)Molar Refractivity: 31.89 cm3; (14)Molar Volume: 109.5 cm3; (15)Polarizability: 12.64x10-24cm3; (16)Surface Tension: 56.3 dyne/cm; (17)Enthalpy of Vaporization: 54.59 kJ/mol; (18)Boiling Point: 258.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0042 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](NC)C(=O)O
(2)InChI: InChI=1/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
(3)InChIKey: HOKKHZGPKSLGJE-GSVOUGTGBS
(4)Std. InChI: InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
(5)Std. InChIKey: HOKKHZGPKSLGJE-GSVOUGTGSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 137mg/kg (137mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Pharmacology and Experimental Therapeutics. Vol. 269, Pg. 573, 1994. |