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CAS No.: | 2068-80-6 |
---|---|
Name: | Magnesium dihydrogen di-L-aspartate |
Article Data: | 1 |
Molecular Structure: | |
Formula: | 2(C4H7NO4).Mg |
Molecular Weight: | 288.497 |
Synonyms: | Asparticacid, magnesium salt (2:1), L- (8CI);Magnesium hydrogen aspartate; |
EINECS: | 218-191-6 |
Density: | 1.514g/cm3 |
Melting Point: | 270-271oC |
Boiling Point: | 264.1oC at 760mmHg |
Flash Point: | 113.5oC |
Solubility: | 21.36g/L at 23.5℃ |
Appearance: | White powder |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 22-24/25-36-26 |
PSA: | 106.28000 |
LogP: | -3.09610 |
2C4H5NO4(2-)*2H(1+)*Mg(2+)
Magnesiumaspartat
Conditions | Yield |
---|---|
With potassium hydroxide In water for 1h; | 50% |
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The IUPAC name of L-Aspartic acid,magnesium salt (2:1) is magnesium (3S)-3-amino-4-hydroxy-4-oxobutanoate. With the CAS registry number 2068-80-6 and EINECS 218-191-6, it is also named as Magnesium dihydrogen di-L-aspartate. The product's category is Amino Acid Salt. The formula is 2(C4H7NO4).Mg and the molecualr weight is 290.49. In addition, it is a kind of white powder which is used as raw material of preservative agent and pharmaceutical, and as feed additive.
The other characteristics of L-Aspartic acid,magnesium salt (2:1) can be summarized as: (1)#H bond acceptors: 10; (2)#H bond donors: 8; (3)#Freely Rotating Bonds: 8; (4)Polar Surface Area: 206.9 Å2; (5)H-Bond Donor: 4; (6)H-Bond Acceptor: 10; (7)Rotatable Bond Count: 4; (8)Exact Mass: 288.044407; (9)MonoIsotopic Mass: 288.044407; (10)Topological Polar Surface Area: 207; (11)Heavy Atom Count: 19; (12)Complexity: 127; (13)Defined Atom StereoCenter Count: 2; (14)Covalently-Bonded Unit Count: 3.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. So people should not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:[Mg+2].[O-]C(=O)CC(N)C(O)=O.[O-]C(=O)CC(N)C(O)=O
2. InChI:InChI=1/2C4H7NO4.Mg/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2
3. InChIKey:RXMQCXCANMAVIO-NUQVWONBAU