nh2ch2cooh + hcl

Iupac Name：methyl 2-aminoacetate;hydrochloride

CAS No.: 5680-79-5

Molecular Weight：125.552

Modify Date.: 2023-02-18 05:24

Introduction: A Glycine ester, a non-essential amino acid for human development. View more+

1.1 Name

Glycine methyl ester hydrochloride

1.2 Synonyms

2-Methoxy-2-oxoethanaminium AMINOACETIC ACID METHYL ESTER HYDROCHLORIDE EINECS 227-139-1 Ethanaminium, 2-methoxy-2-oxo- Glycine Methyl ester HC1 GLYCINE METHYL ESTER HCL GLYCINE METHYL ESTER HYDROCHLORIDE SALT Glycine methylester HCI Glycine, methyl ester, hydrochloride Glycine, methyl ester, hydrochloride (1:1) Glycinemethylesterhydrochloride GLYCINE-OME HCL Gly-OmeHCl H2N-Gly-OMe*hydrochloride H-Gly-OMe HCl H-Gly-OMe.HCl L-GLYCINE METHYL ESTER HYDROCHLORIDE methyl 2-aminoacetate hydrochloride methyl aminoacetate hydrochloride Methyl glutamate METHYL GLYCINATE HCL METHYL GLYCINATE HYDROCHLORIDE Methyl glycinate hydrochloride (1:1) Methylglyacinate chlorohydrate MFCD00012870

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1.3 CAS No.

5680-79-5

1.4 CID

122755

1.5 EINECS(EC#)

227-139-1

1.6 Molecular Formula

C3H8ClNO2 (isomer)

1.7 Inchi

InChI=1S/C3H7NO2.ClH/c1-6-3(5)2-4;/h2,4H2,1H3;1H

1.8 InChIkey

COQRGFWWJBEXRC-UHFFFAOYSA-N

1.9 Canonical Smiles

COC(=O)CN.Cl

1.10 Isomers Smiles

COC(=O)CN.Cl

2.1 Density

1.000

2.1 Melting point

173-177℃

2.1 Boiling point

82.1 °C at 760 mmHg

2.1 Flash Point

°C

2.1 Precise Quality

125.02400

2.1 PSA

52.32000

2.1 logP

0.62040

2.1 Solubility

>1000 g/L (20 oC) in water

2.2 Appearance

White Powder or Cyrstals

2.3 Storage

Ambient temperatures.

2.4 Chemical Properties

Crystalline

2.5 Color/Form

White

2.6 Water Solubility

H2O: >1000 g/L (20 oC)

2.7 Stability

Stable. Incompatible with strong oxidizing agents.

2.8 StorageTemp

Inert atmosphere,Room Temperature

3.1 Methods of Manufacturing

Can be prepared with glycine or chloroacetic acid as raw materials.?It is described as follows.?Glycine is used as the raw material method. Dry hydrogen chloride gas is passed into absolute ethanol vĩ đại make hydrogen chloride ethanol solution, then glycine is added, heated and stirred for esterification, and the reaction temperature is controlled at 80-85°C. After all the glycine is dissolved, stirring A few minutes, while hot, move the reaction solution vĩ đại the crystallization pot, cool the crystallization, and filter vĩ đại obtain ethyl glycine hydrochloride.?Reaction equation: NH2CH2COOH+C2H5O[HCl]→NH2CH2COOC2H5·HCl can also be added vĩ đại the reactor with stirring glycine and absolute ethanol, heated vĩ đại 60 ℃, through the introduction of hydrogen chloride gas, hydrogen chloride until the reactants are completely dissolved, continue After passing hydrogen chloride vĩ đại recrystallization, it is the kết thúc point. The reaction solution is transferred vĩ đại the crystallization pot, while stirring, the crystal is cooled and filtered, washed with absolute ethanol, and dried vĩ đại obtain ethyl glycine hydrochloride.?Chloroacetic acid is used as the raw material method. Chloroacetic acid, urotropine and absolute ethanol are added vĩ đại the reactor. At 45℃, ammonia gas is passed vĩ đại make pH=8～8.5. The rate of ammonia gas is controlled vĩ đại maintain the reaction temperature at Between 40 and 65°C, after the ammonia gas has been passed through, the reaction is held at 65°C for 1 hour, then the temperature is reduced vĩ đại 30°C, and the hydrogen chloride-anhydrous ethanol solution is added dropwise.?After the dropwise addition, react at 70℃ for 2h, then filter hot at 62～65℃ vĩ đại separate the ammonium chloride crystals. The filtrate is placed in a crystallization pot, cooled vĩ đại 10℃, crystallized while stirring, the crystals are filtered, Dry vĩ đại give ethyl glycine hydrochloride.?Reaction equation: ClCH2COOH + NH3 [ethanol] → NH2CH2COOH [C2H5OH] → [HCl] NH2CH2COOH · HCl, using methanol instead of ethanol vĩ đại obtain glycine methyl ester hydrochloride.?Reaction equation: NH2CH2COOH+CH3OH[HCl]→NH2CH2COOCH3·HCl

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3.2 Purification Methods

Crystallise the ester salt from MeOH. [Werbin & Spoerri J Am Chem Soc 69 1682 1947, Beilstein 4 H 340, 4 III 1116.] Glycine methyl ester hydrochloride Preparation Products And Raw materials Raw materials

3.3 Usage

A Glycine ester, a non-essential amino acid for human development.

4.1 Risk Statements

S22-S24/25

4.1 Safety Statements

S24/25

4.1 Hazard Declaration

H315

4.1 RIDADR

NONH for all modes of transport

4.1 Caution Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

4.1 WGK Germany

3

4.1 Sensitive

Hygroscopic

4.2 Specification

The Glycine Methyl ester Hydrochloride , its cas register number is 5680-79-5. The IPUAC name about this chemicals is methyl 2-aminoacetate hydrochloride . The enthalpy of vaporization about it is 32.27 kJ/mol, vapour pressure is 79.8 mmHg at 25°C . Product categories about this chemicals are straight chain compounds; Amino Acids; Glycine [Gly, G]; Amino Acids and Derivatives; Amino hydrochloride; Amino Acid Derivatives; Glycine; Peptide Synthesis .

The Glycine Methyl ester Hydrochloride should be stored at -20°C. When we use it, we should vì thế not breathe dust, and avoid liên hệ with skin and eyes.

This chemicals can be described computed from structure:
1) Canonical SMILES: COC(=O)CN.Cl
2) InChI: InChI=1S/C3H7NO2.ClH/c1-6-3(5)2-4;/h2,4H2,1H3;1H
3) InChIKey: COQRGFWWJBEXRC-UHFFFAOYSA-N

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. Xem thêm: etilen ra ancol etylic P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove liên hệ lenses, if present and easy vĩ đại vì thế. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person vĩ đại fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container vĩ đại ...

2.3 Other hazards which vì thế not result in classification

none

7.0 BRN

3593644

7.1 Chemical Properties

Crystalline

7.2 Uses

A Glycine ester, a non-essential amino acid for human development.

7.3 Purification Methods

Crystallise the ester salt from MeOH. [Werbin & Spoerri J Am Chem Soc 69 1682 1947, Beilstein 4 H 340, 4 III 1116.]

7.4 Usage

Glycine methyl ester hydrochloride a non-essential amino acid used for human development.

7.5 Storage Conditions

Can be prepared with glycine or chloroacetic acid as raw materials.?It is described as follows.?Glycine is used as the raw material method. Dry hydrogen chloride gas is passed into absolute ethanol vĩ đại make hydrogen chloride ethanol solution, then glycine is added, heated and stirred for esterification, and the reaction temperature is controlled at 80-85°C. After all the glycine is dissolved, stirring A few minutes, while hot, move the reaction solution vĩ đại the crystallization pot, cool the crystallization, and filter vĩ đại obtain ethyl glycine hydrochloride.?Reaction equation: NH2CH2COOH+C2H5O[HCl]→NH2CH2COOC2H5·HCl can also be added vĩ đại the reactor with stirring glycine and absolute ethanol, heated vĩ đại 60 ℃, through the introduction of hydrogen chloride gas, hydrogen chloride until the reactants are completely dissolved, continue After passing hydrogen chloride vĩ đại recrystallization, it is the kết thúc point. The reaction solution is transferred vĩ đại the crystallization pot, while stirring, the crystal is cooled and filtered, washed with absolute ethanol, and dried vĩ đại obtain ethyl glycine hydrochloride.?Chloroacetic acid is used as the raw material method. Chloroacetic acid, urotropine and absolute ethanol are added vĩ đại the reactor. At 45℃, ammonia gas is passed vĩ đại make pH=8～8.5. The rate of ammonia gas is controlled vĩ đại maintain the reaction temperature at Between 40 and 65°C, after the ammonia gas has been passed through, the reaction is held at 65°C for 1 hour, then the temperature is reduced vĩ đại 30°C, and the hydrogen chloride-anhydrous ethanol solution is added dropwise.?After the dropwise addition, react at 70℃ for 2h, then filter hot at 62～65℃ vĩ đại separate the ammonium chloride crystals. The filtrate is placed in a crystallization pot, cooled vĩ đại 10℃, crystallized while stirring, the crystals are filtered, Dry vĩ đại give ethyl glycine hydrochloride.?Reaction equation: ClCH2COOH + NH3 [ethanol] → NH2CH2COOH [C2H5OH] → [HCl] NH2CH2COOH · HCl, using methanol instead of ethanol vĩ đại obtain glycine methyl ester hydrochloride.?Reaction equation: NH2CH2COOH+CH3OH[HCl]→NH2CH2COOCH3·HCl

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7.6 Mesh Entry Terms

glycine methyl ester

• Molecular Weight: 125.552g/mol
• Molecular Formula: C₃H₈ClNO₂
• Compound Is Canonicalized: True
• XLogP3-AA: null
• Exact Mass: 125.0243562
• Monoisotopic Mass: 125.0243562
• Complexity: 52.8
• Rotatable Bond Count: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Topological Polar Surface Area: 52.3
• Heavy Atom Count: 7
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• Isotope Atom Count: 0
• Covalently-Bonded Unit Count: 2
• CACTVS Substructure Key Fingerprint: AAADccBCMAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAAAADBgAYCCABABAAIAACQCAAAAAAAAAAAAICAAAACAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==