GLYCINE N-PROPYL ESTER HYDROCHLORIDE

The Glycine, propyl ester, hydrochloride (1:1), with the CAS registry number 13049-01-9, is also known as Propyl glycinate hydrochloride. Its EINECS registry number is 235-925-0. This chemical's molecular formula is C₅H₁₂ClNO₂ and molecular weight is 153.61. What's more, its IUPAC name is (2-Oxo-2-propoxyethyl)azanium chloride. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should be kept away from light. In addition, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

Physical properties about Glycine, propyl ester, hydrochloride (1:1) are: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.6; (4)ACD/LogD (pH 7.4): -0.04; (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): 16.92; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 10.6 °C; (14)Enthalpy of Vaporization: 37.25 kJ/mol; (15)Boiling Point: 135.1 °C at 760 mmHg; (16)Vapour Pressure: 7.86 mmHg at 25 °C.

Uses of Glycine, propyl ester, hydrochloride (1:1): it is used to produce other chemicals. For example, it is used to produce N-Propoxycarbonylmethyl-3b-acetoxyandrost-5-ene-17b-carboxamide at ambient temperature. The reaction needs reagent Et₃N and solvent CH₂Cl₂. The reaction time is 1 hour. The yield is about 91 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(OCCC)CN
(2) InChI: InChI=1/C5H11NO2.ClH/c1-2-3-8-5(7)4-6;/h2-4,6H2,1H3;1H
(3) InChIKey: YDBMNSABUROTEK-UHFFFAOYAJ