Glycine, N-methyl-,methyl ester, hydrochloride (1:1) (13515-93-0)

The IUPAC name of Sarcosine methyl ester hydrochloride is methyl 2-(methylamino)acetate hydrochloride. With the CAS registry number 13515-93-0, it is also named as Glycine, N-methyl-, methyl ester, hydrochloride. The product's categories are amino acids; sarcosine [sar]; unusual amino acids; amino hydrochloride; amino acid derivatives; glycine; peptide synthesis. It is white to beige crystals or crystalline powder which is hygroscopic and stable under normal temperature and pressure. Additionally, this chemical must be sealed in the container and placed in the cool and dry aera.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.25; (4)ACD/LogD (pH 7.4): -0.65; (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): 7.49; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Flash Point: 25.7 °C; (13)Enthalpy of Vaporization: 35.71 kJ/mol; (14)Boiling Point: 118.9 °C at 760 mmHg; (15)Vapour Pressure: 16.3 mmHg at 25°C; (16)Rotatable Bond Count: 3; (17)Exact Mass: 139.040006; (18)MonoIsotopic Mass: 139.040006; (19)Topological Polar Surface Area: 38.3; (20)Heavy Atom Count: 8; (21)Complexity: 62.7.

Preparation of Sarcosine methyl ester hydrochloride: It can be obtained by methanol and N-methyl-glycine. This reaction needs reagent thionyl chloride at ambient temperature. 

Uses of Sarcosine methyl ester hydrochloride: It can react with formic acid to get N-formyl-N-methyl-glycine methyl ester. This reaction needs reagent HCO₂Na at ambient temperature. The reaction time is 2 hours. The yield is 85%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. And it is also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and eye / face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:Cl.O=C(OC)CNC
2. InChI:InChI=1/C4H9NO2.ClH/c1-5-3-4(6)7-2;/h5H,3H2,1-2H3;1H 
3. InChIKey:HQZMRJBVCVYVQA-UHFFFAOYAF

The IUPAC name of Sarcosine methyl ester hydrochloride is methyl 2-(methylamino)acetate hydrochloride. With the CAS registry number 13515-93-0, it is also named as Glycine, N-methyl-, methyl ester, hydrochloride. The product's categories are amino acids; sarcosine [sar]; unusual amino acids; amino hydrochloride; amino acid derivatives; glycine; peptide synthesis. It is white to beige crystals or crystalline powder which is hygroscopic and stable under normal temperature and pressure. Additionally, this chemical must be sealed in the container and placed in the cool and dry aera.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.25; (4)ACD/LogD (pH 7.4): -0.65; (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): 7.49; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Flash Point: 25.7 °C; (13)Enthalpy of Vaporization: 35.71 kJ/mol; (14)Boiling Point: 118.9 °C at 760 mmHg; (15)Vapour Pressure: 16.3 mmHg at 25°C; (16)Rotatable Bond Count: 3; (17)Exact Mass: 139.040006; (18)MonoIsotopic Mass: 139.040006; (19)Topological Polar Surface Area: 38.3; (20)Heavy Atom Count: 8; (21)Complexity: 62.7.

Preparation of Sarcosine methyl ester hydrochloride: It can be obtained by methanol and N-methyl-glycine. This reaction needs reagent thionyl chloride at ambient temperature. 

Uses of Sarcosine methyl ester hydrochloride: It can react with formic acid to get N-formyl-N-methyl-glycine methyl ester. This reaction needs reagent HCO₂Na at ambient temperature. The reaction time is 2 hours. The yield is 85%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. And it is also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and eye / face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:Cl.O=C(OC)CNC
2. InChI:InChI=1/C4H9NO2.ClH/c1-5-3-4(6)7-2;/h5H,3H2,1-2H3;1H 
3. InChIKey:HQZMRJBVCVYVQA-UHFFFAOYAF