Sarcosine hydrochloride

The Sarcosine hydrochloride, with the CAS registry number 637-96-7, is also known as Sarcosine hydrochloride. It belongs to the product category of Active Pharmaceutical Ingredients. And its EINECS registry number is 211-310-2. This chemical's molecular formula is C₃H₈ClNO₂ and molecular weight is 125.55. What's more, its IUPAC name is 2-(Methylamino)acetic acid hydrochloride. Besides, during using it, you should avoid contacting with skin and eyes. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant. And this chemical is an amino acid intermediate in the metabolism of choline.

Physical properties about Sarcosine hydrochloride are: (1)ACD/LogP: -0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.29; (4)ACD/LogD (pH 7.4): -3.29; (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): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 71.8 °C; (14)Enthalpy of Vaporization: 47.54 kJ/mol; (15)Boiling Point: 195.1 °C at 760 mmHg; (16)Vapour Pressure: 0.184 mmHg at 25 °C.

Uses of Sarcosine hydrochloride: 1.) it is used for biochemical research and synthesis of enzyme agent; 2.) it is used to produce other chemicals. For example, it is used to produce N-(9-Fluorenylmethyloxycarbonyl)sarcosine. This reaction needs reagents H₂O and Na₂CO₃. Meanwhile, it needs solvent Dioxane. The reaction time is 16 hours. The yield is about 90 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(O)CNC
(2) InChI: InChI=1/C3H7NO2.ClH/c1-4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);1H
(3) InChIKey: WVKIFIROCHIWAY-UHFFFAOYAD