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| CAS No.: | 52605-49-9 |
|---|---|
| Name: | Ethyl sarcosinate hydrochloride |
| Molecular Structure: | |
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| Formula: | C5H11NO2.HCl |
| Molecular Weight: | 153.609 |
| Synonyms: | Glycine,N-methyl-, ethyl ester, hydrochloride (9CI);(Methylamino)acetic acid ethylester hydrochloride;2-Ethoxy-2-oxo-N-methylethylammonium chloride;EthylN-methylaminoacetate hydrochloride;Ethyl N-methylglycinate hydrochloride;Ethyl sarcosinate hydrochloride;Ethyl sarcosine hydrochloride;N-Methylglycineethyl ester hydrochloride;N-[(Ethoxycarbonyl)methyl]-N-methylaminehydrochloride;Sacrosine ethyl ester hydrochloride;Sarcosine ethyl esterhydrochloride;H-Sar-Oet·HCl; |
| EINECS: | 258-037-5 |
| Melting Point: | 125 °C |
| Boiling Point: | 138.6 °C at 760 mmHg |
| Flash Point: | 37.6 °C |
| Solubility: | H2O: 0.1 g/mL, clear |
| Appearance: | white to off-white crystalline solid |
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 38.33000 |
| LogP: | 0.96180 |
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Specification
The Glycine, N-methyl-,ethyl ester, hydrochloride (1:1), with the CAS registry number 52605-49-9 and EINECS registry number 258-037-5, has the systematic name of ethyl N-methylglycinate hydrochloride (1:1). It is a kind of white to off-white crystalline solid, and belongs to the following product categories: Sarcosine [Sar]; Unusual Amino Acids. And the molecular formula of the chemical is C5H11NO2.HCl.
The characteristics of Glycine, N-methyl-,ethyl ester, hydrochloride (1:1) are as followings: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.06; (4)ACD/LogD (pH 7.4): -0.36; (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): 8.33; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Flash Point: 37.6 °C; (14)Enthalpy of Vaporization: 37.59 kJ/mol; (15)Boiling Point: 138.6 °C at 760 mmHg; (16)Vapour Pressure: 6.67 mmHg at 25°C.
Preparation of Glycine, N-methyl-,ethyl ester, hydrochloride (1:1): This chemical can be prepared by N-methyl-glycine and ethanol. The reaction will need reagent hydrogen chloride (gas). The reaction time is 72 hours with temperature of 20°C, and the yield is about 95%.
Uses of Glycine, N-methyl-,ethyl ester, hydrochloride (1:1): It can be used to produce N-methyl-N-nitroso-glycine ethyl ester. This reaction will need reagent NaNO2, and the menstruum H2O and aq. acetic acid. The reaction time is 3 hours with ambient temperature, and the yield is about 93%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better avoid contacting with skin and eyes.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.O=C(OCC)CNC
(2)InChI: Cl.O=C(OCC)CNC
(3)InChIKey: NIDZUMSLERGAON-UHFFFAOYAX