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| CAS No.: | 4896-75-7 |
|---|---|
| Name: | GLYCINE-2,2-D2 |
| Molecular Structure: | |
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| Formula: | C2H3D2NO2 |
| Molecular Weight: | 77.0513 |
| Synonyms: | 2,2-Dideuterioglycine; |
| Density: | 1.287 g/cm3 |
| Melting Point: | 240 °C (dec.)(lit.) |
| Boiling Point: | 240.9 °C at 760 mmHg |
| Flash Point: | 99.5 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 63.32000 |
| LogP: | -0.27000 |
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Specification
This chemical is called Glycine-2,2-d2, and its systematic name is 2-amino-2,2-dideuterio-acetic acid. With the molecular formula of C2H3D2NO2, its molecular weight is 77.08. The CAS registry number of this chemical is 4896-75-7. Additionally, its product categories are Amino Acids 13C, 2H, 15N; Alphabetical Listings; Amino Acids; Amino Acids Stable Isotopes; G-H; Stable Isotopes.
Other characteristics of the Glycine-2,2-d2 can be summarised as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 63.32 Å2; (5)Index of Refraction: 1.46; (6)Molar Refractivity: 16.41 cm3; (7)Molar Volume: 59.8 cm3; (8)Polarizability: 6.5×10-24cm3; (9)Surface Tension: 54.4 dyne/cm; (10)Density: 1.287 g/cm3; (11)Flash Point: 99.5 °C; (12)Enthalpy of Vaporization: 52.63 kJ/mol; (13)Boiling Point: 240.9 °C at 760 mmHg; (14)Vapour Pressure: 0.0123 mmHg at 25°C.
Production method of this chemical: The Glycine-2,2-d2 could be obtained by the reactant of glycine. This reaction needs the reagent of AcOD, salicylaldehyde. The yield is 98 %. In addition, this reaction should be taken for 1 hours at the temperature of 100 °C.
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Uses of this chemical: The (S)-(2-(2)H)-glycine could be obtained by the reactant of Glycine-2,2-d2. This reaction needs the reagents of dipotassium hydrogen phosphate, pyridoxal 5'-phosphate, glutamate-pyruvate transaminase, and the solvent of H2O. The yield is 99 %. This reaction should be taken for 9 days at the temperature of 37 °C. The other condition is pH=7.1.
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You can still convert the following datas into molecular structure:
1.SMILES: [2H]C([2H])(N)C(O)=O
2.InChI: InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1D2
3.InChIKey: DHMQDGOQFOQNFH-DICFDUPAEQ