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| CAS No.: | 637-96-7 |
|---|---|
| Name: | Sarcosine hydrochloride |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C3H8ClNO2 |
| Molecular Weight: | 125.555 |
| Synonyms: | N-Methylglycinehydrochloride;Sarcosine, hydrochloride (8CI);Glycine,N-methyl-, hydrochloride (9CI);Glycine, N-methyl-,hydrochloride (1:1); |
| EINECS: | 211-310-2 |
| Density: | 1.48 g/cm3 |
| Melting Point: | 173-175 °C (lit.) |
| Boiling Point: | 195.1 °C at 760 mmHg |
| Flash Point: | 71.8 °C |
| Solubility: | Soluble in water. |
| Appearance: | white adhering crystalline powder |
| Safety: | 24/25 |
| PSA: | 49.33000 |
| LogP: | 0.48330 |
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Specification
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