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| CAS No.: | 3792-50-5 |
|---|---|
| Name: | Sodium L-aspartate |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C4H6NNaO4 |
| Molecular Weight: | 155.086 |
| Synonyms: | Asparticacid, monosodium salt, L- (8CI);L-Aspartic acid, monosodium salt (9CI);Asparticacid monosodium salt;Monosodium L-aspartate;Monosodium aspartate;L-Aspartate sodium; |
| EINECS: | 223-264-0 |
| Density: | 1.514 g/cm3 |
| Melting Point: | ~140 °C (dec.) |
| Boiling Point: | 264.1oC at 760 mmHg |
| Flash Point: | 113.5oC |
| Solubility: | water: ≥100 mg/mL |
| Appearance: | white crystalline powder |
| PSA: | 121.91000 |
| LogP: | -1.89000 |
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Specification
The L-Asparticacid, sodium salt (1:1), with the CAS registry number 3792-50-5, is also known as Monosodium L-aspartate. It belongs to the product categories of Amino Acid Salt; Food Additive; Food Additives; Pharmaceutical Intermediate. Its EINECS registry number is 223-264-0. This chemical's molecular formula is C4H6NNaO4 and molecular weight is 155.08. What's more, its IUPAC name is sodium (2S)-2-Amino-4-hydroxy-4-oxobutanoate and systematic name is called sodium (2S)-2-Amino-3-carboxypropanoate. It is white crystalline powder and can be used as food additives and nutrition enhancer.
Physical properties about L-Asparticacid, sodium salt (1:1) 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: 66.84 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; (17)Melting Point: 140 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[O-]C(=O)[C@@H](N)CC(=O)O
(2) InChI: InChI=1/C4H7NO4.Na/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1/t2-;/m0./s1
(3) InChIKey: WTWSHHITWMVLBX-CBXCQQQGBG