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| CAS No.: | 922-32-7 |
|---|---|
| Name: | Creatine phosphate disodium salt |
| Molecular Structure: | |
|
|
|
| Formula: | C4H8N3Na2O5P |
| Molecular Weight: | 255.08 |
| Synonyms: | Glycine,N-[imino(phosphonoamino)methyl]-N-methyl-, disodium salt (9CI);Sarcosine,N-(phosphonoamidino)-, disodium salt (7CI,8CI);Disodium creatine phosphate;Disodium phosphocreatine;Creatine Phosphate Disodium; |
| EINECS: | 213-074-6 |
| Density: | 1.784 at 20℃ |
| Boiling Point: | 520.3 °C at 760 mmHg |
| Flash Point: | 268.5 °C |
| Solubility: | soluble in water |
| Appearance: | white powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 22-24/25-36-26 |
| PSA: | 149.42000 |
| LogP: | -0.01310 |
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Specification
The IUPAC name of Glycine,N-[imino(phosphonoamino)methyl]-N-methyl-, sodium salt (1:2) is disodium 2-[methyl-[(E)-N'-phosphonatocarbamimidoyl]amino]acetic acid. With the CAS registry number 922-32-7, it is also named as Disodium creatine phosphate. In addition, it is white powder which is soluble in water and stable under normal temperture and pressure. Moreover, it must be sealed in the container.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -2.91; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -7; (4)ACD/LogD (pH 7.4): -7; (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: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 3; (12)Flash Point: 268.5 °C; (13)Enthalpy of Vaporization: 86.8 kJ/mol; (14)Boiling Point: 520.3 °C at 760 mmHg; (15)Vapour Pressure: 3.19E-12 mmHg at 25°C; (16)Rotatable Bond Count: 3; (17)Tautomer Count: 3; (18)Exact Mass: 254.999696; (19)MonoIsotopic Mass: 254.999696; (20)Topological Polar Surface Area: 142; (21)Heavy Atom Count: 15.
Uses of Glycine,N-[imino(phosphonoamino)methyl]-N-methyl-, sodium salt (1:2): It is an endogenous substance found mainly in skeletal muscle of vertebrates. It has been tried in the treatment of cardiac disorders and has been added to cardioplegic solutions. As its usage, this chemical is used as additive of drugs and health products.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed, so people should not breathe dust. And it is irritating to eyes, respiratory system and skin, so people must 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:[Na+].[Na+].[O-]P([O-])(=O)/N=C(\N)N(C)CC(=O)O
2. InChI:InChI=1/C4H10N3O5P.2Na/c1-7(2-3(8)9)4(5)6-13(10,11)12;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;/q;2*+1/p-2