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CAS No.: | 5598-53-8 |
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Name: | Sodium L-aspartate |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C4H5NNa2O4 |
Molecular Weight: | 177.068 |
Synonyms: | Asparticacid, disodium salt, L- (8CI);L-Aspartic acid, disodium salt (9CI);DisodiumL-aspartate;Disodium aspartate;Sodium L-aspartate;Sodium aspartate; |
EINECS: | 227-012-0 |
Density: | 1.514g/cm3 |
Melting Point: | 270-271oC |
Boiling Point: | 264.1 °C at 760 mmHg |
Flash Point: | 113.5 °C |
PSA: | 78.62000 |
LogP: | -0.58090 |
The CAS registry number of Sodium aspartate is 5598-53-8. The IUPAC name is disodium (2S)-2-aminobutanedioate. It is also called L-Aspartic acid, sodiumsalt (1:2). Its EINECS registry number is 227-012-0. In addition, the molecular formula is C4H7NO4.2Na and the molecular weight is 179.07. It should be stored in a cool and dry place.
Physical properties about Sodium aspartate are: (1)ACD/LogP: -0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.1; (4)ACD/LogD (pH 7.4): -4.17; (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: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 77.84 Å2; (13)Flash Point: 113.5 °C; (14)Enthalpy of Vaporization: 55.26 kJ/mol; (15)Boiling Point: 264.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00289 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]C(=O)C[C@H](N)C([O-])=O
(2)InChI: InChI=1/C4H7NO4.2Na/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/q;2*+1/p-2/t2-;;/m0../s1
(3)InChIKey: XMXOIHIZTOVVFB-GAUWZLIYBB
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 6800mg/kg (6800mg/kg) | Toxicology. Vol. 62, Pg. 203, 1990. |