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| CAS No.: | 14019-62-6 |
|---|---|
| Name: | H-GLY-OIPR HCL |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C5H12ClNO2 |
| Molecular Weight: | 153.609 |
| Synonyms: | Glycine,1-methylethyl ester, hydrochloride (9CI);Glycine, isopropyl ester,hydrochloride (7CI,8CI); |
| EINECS: | 1592732-453-0 |
| Density: | 0.987g/cm3 |
| Boiling Point: | 175.7 °C at 760 mmHg |
| Flash Point: | 60 °C |
| Solubility: | Soluble in water |
| Appearance: | White crystalline powder |
| Safety: | 22-24/25 |
| PSA: | 52.32000 |
| LogP: | 1.39900 |
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Specification
The H-GLY-OIPR HCL, with the CAS registry number 14019-62-6, has the systematic name of 1-methylethyl glycinate hydrochloride. And the molecular formula of the chemical is C5H12ClNO2. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of H-GLY-OIPR HCL are as followings: (1)ACD/LogP: 0.05; (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: 60 °C; (8)Enthalpy of Vaporization: 42.05 kJ/mol; (9)Boiling Point: 175.7 °C at 760 mmHg; (10)Vapour Pressure: 0.979 mmHg at 25°C.
Uses of H-GLY-OIPR HCL: It can react with indol-3-yl-oxo-acetyl chloride to produce [2-(1H-indol-3-yl)-2-oxo-acetylamino]-acetic acid isopropyl ester. This reaction will need reagent Et3N, and the menstruum benzene. And the yield is about 55%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.CC(C)OC(=O)CN
(2)InChI: InChI=1/C5H11NO2.ClH/c1-4(2)8-5(7)3-6;/h4H,3,6H2,1-2H3;1H
(3)InChIKey: UBKCIXXGQRZHRO-UHFFFAOYAE