GLYCINE N-OCTYL ESTER HYDROCHLORIDE

The Glycine, octyl ester, hydrochloride (1:1), with the CAS registry number 39540-30-2, is also known as Octyl glycinate hydrochloride. This chemical's molecular formula is C₁₀H₂₂ClNO₂ and molecular weight is 223.74. What's more, its IUPAC name is Octyl 2-aminoacetate hydrochloride. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Glycine, octyl ester, hydrochloride (1:1) are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 1.38; (6)ACD/BCF (pH 7.4): 49.18; (7)ACD/KOC (pH 5.5): 13.29; (8)ACD/KOC (pH 7.4): 473.38; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 108.5 °C; (14)Enthalpy of Vaporization: 48.05 kJ/mol; (15)Boiling Point: 243.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0321 mmHg at 25 °C.

Preparation of Glycine, octyl ester, hydrochloride (1:1): this chemical is prepared by reaction of Glycine; hydrochloride with Octan-1-ol. The reaction needs reagent HCl. The reaction temperature is 120-130 °C. The yield is about 92 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(OCCCCCCCC)CN
(2) InChI: InChI=1/C10H21NO2.ClH/c1-2-3-4-5-6-7-8-13-10(12)9-11;/h2-9,11H2,1H3;1H
(3) InChIKey: OORFEZYGSYLFCL-UHFFFAOYAN