Basic information
- CAS
623-33-6- Standard SMILES
CCOC(=O)C[NH3+].[Cl-]- InChIKey
TXTWXQXDMWILOF-UHFFFAOYSA-N- Molecular formula
- C4H10ClNO2
- Average molar mass
- 139.58 g/mol
- Monoisotopic mass
- 139.0400063
Overview
See also: Glycine ethyl ester, hydrochloride (preferred).
Names & identifiers
- Preferred name
- Ethyl 2-aminoacetate, chloride
- IUPAC
- (2-ethoxy-2-oxoethyl)azanium chloride
- English name
- Glycine ethyl ester hydrochloride
- Molecular formula
- C4H9NO2.ClH
- Molecular weight
- 139.58
Names & synonyms
(2-ethoxy-2-oxoethyl)azanium;chlorideethyl 2-aminoacetate, chlorideNSC 3044EINECS 210-787-4AI3-23956SBB056599AKOS023093285Glycine, ethyl ester, hydrochloride (1:1)NS00078383ST50975065EC 210-787-4ETHYL GLYCINATE HYDROCHLORIDE
Show more names
GLYCINE ETHYL ESTERGLYCINE ETHYL ESTER HCLGly-OEt HClH-GLY-OET HCLGEEETHYL AMINOACETATE HYDROCHLORIDEGlycocollethylesterhydrochlorideusafdo-10ycine EthyL
Database identifiers
- CAS
623-33-6- PubChem CID
- 12175
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 62.7
Physicochemical properties
- Melting point
- 145 · 145-146 °C(lit.)
- Density
- 1.371 g/cm3 · 1.371 g/cm3
- storage temp.
- 2 · 2-8°C
- solubility
- 1000 g/L · >1000 g/L (20 °C)
- form
- Crystalline Powder
- pka
- 1 · pK1:7.66(+1) (25°C)
- color
- White
- Odor
- Odorless
- PH
- 2.9 · 2.9 (10g/l, H2O, 20℃)
- Water Solubility
- 1000 g/L · >1000 g/L (20 ºC)
- Sensitive
- Hygroscopic
- BRN
- 3594034 · 3594034
- Major Application
- peptide synthesis
- InChI
- 1S/C4H9NO2.ClH/c1-2-7-4(6)3-5;/h2-3,5H2,1H3;1H
- InChIKey
- TXTWXQXDMWILOF-UHFFFAOYSA-N
- SMILES
- Cl.CCOC(=O)CN
- CAS DataBase Reference
- 623 · 623-33-6(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- MC0525000
- hs_code
- 29224995
- risk_code
- 41-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39-24/25-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H318
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationGlycine, ethyl ester, hydrochloride (1:1): ACTIVE
Applications
UsesAs a Glycine (G615990) ester, Glycine ethyl ester hydrochloride can be used as parakeratosis inhibitor and external composition for skin.
UsesGlycine ethyl ester (GEE) is used in conjunction with N-(3-Dimethylaminopropyl)-N-ethylcarbodiimide (EDC) for carboxyl-foot printing studies of proteins. The GEE/EDC protocol effects specific derivatization of glutamate and aspartate carboxyl side chains on intact proteins. This reaction is readily done under aqueous conditions at physiological pH. It is mainly used as a pharmaceutical raw material. Glycine ethyl ester hydrochloride is an important intermediate for preparing chrysanthemic acid or two chlorine chrysanthemic acid and is mainly used in the synthesis of anti-inflammatory drugs, but also can be used for the synthesis of four imidazole acetic acid.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
6 records
Compound notes
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