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| CAS No.: | 39825-33-7 |
|---|---|
| Name: | L-Alanine isopropyl ester hydrochloride |
| Article Data: | 21 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C6H13NO2 |
| Molecular Weight: | 131.175 |
| Synonyms: | Alanine,isopropyl ester (6CI);Isopropyl L-alaninate;L-Alanine 2-propyl ester;O-Isopropyl-L-alanine; |
| Density: | 0.968±0.06 g/cm3(Predicted) |
| Boiling Point: | 145.7 °C at 760 mmHg |
| Flash Point: | 20.7 °C |
| PSA: | 52.32000 |
| LogP: | 1.78750 |
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Specification
The L-Alanine,1-methylethyl ester, with the CAS registry number 39825-33-7, is also known as H-Ala-OiPr HCl. It belongs to the product categories of Glycinescaff; Acids Derivatives; Alanine [Ala, A]; Amino Acids and Derivatives. This chemical's molecular formula is C6H14ClNO2 and molecular weight is 167.63. What's more, its systematic name is called Isopropyl (2S)-2-aminopropanoate hydrochloride.
Physical properties about L-Alanine,1-methylethyl ester are: (1) ACD/LogP: 0.39; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 4; (6) Polar Surface Area: 52.32 Å2; (7) Flash Point: 69.5 °C; (8) Enthalpy of Vaporization: 43.63 kJ/mol; (9) Boiling Point: 191.4 °C at 760 mmHg; (10) Vapour Pressure: 0.438 mmHg at 25 °C.
Uses of L-Alanine,1-methylethyl ester: it can react with (1R:2R)-2-Hydroxy-πnanone-3 to give Isopropyl (1R,2R,5R)-2'-[(2-hydroxypinan-3-ylene)amino]propanoate.
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The reaction occurs with reagent Toluene and other condition of heating for 4 hours. The yield is 86%.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.C[C@H](N)C(=O)OC(C)C
(2) InChI: InChI=1/C6H13NO2.ClH/c1-4(2)9-6(8)5(3)7;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1
(3) InChIKey: YAQKNCSWDMGPOY-JEDNCBNOBC