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| CAS No.: | 31024-91-6 |
|---|---|
| Name: | DL-ALANINE-2-D1 |
| Molecular Structure: | |
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| Formula: | C3H6DNO2 |
| Molecular Weight: | 90.0861 |
| Synonyms: | Alanine-2-d,DL- (8CI);DL-Alanine-2-d;DL-(a2H)Alanine; |
| Density: | 1.174 g/cm3 |
| Melting Point: | 289 °C (dec.)(lit.) |
| Boiling Point: | 212.9 °C at 760 mmHg |
| Flash Point: | 82.6 °C |
| PSA: | 63.32000 |
| LogP: | 0.11850 |
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Specification
The Alanine-2-d is an organic compound with the formula C3H6DNO2. The systematic name of this chemical is (2-2H)alanine. With the CAS registry number 31024-91-6, it is also named as DL-Alanine-2-d. The product's categories are A; Alphabetical Listings; Stable Isotopes. Besides, it should be stored in a closed cool and dry place.
Physical properties about Alanine-2-d are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 29.54 Å2; (9)Index of Refraction: 1.459; (10)Molar Refractivity: 21 cm3; (11)Molar Volume: 76.7 cm3; (12)Polarizability: 8.32×10-24cm3; (13)Surface Tension: 45.8 dyne/cm; (14)Density: 1.174 g/cm3; (15)Flash Point: 82.6 °C; (16)Enthalpy of Vaporization: 49.5 kJ/mol; (17)Boiling Point: 212.9 °C at 760 mmHg; (18)Vapour Pressure: 0.0661 mmHg at 25°C.
Preparation of Alanine-2-d: this chemical can be prepared by L-alanine. This reaction is a kind of Racemization. This reaction will need reagents AcOD, salicylaldehyde. The reaction time is 60 min with reaction temperature of 100 °C. The yield is about 74%.
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C(N)(C(=O)O)C
(2)InChI: InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/i2D
(3)InChIKey: QNAYBMKLOCPYGJ-VMNATFBREY
(4)Std. InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/i2D
(5)Std. InChIKey: QNAYBMKLOCPYGJ-VMNATFBRSA-N