Glycylglycine
- Iupac Name：2-[(2-aminoacetyl)amino]acetic acid
- CAS No.: 556-50-3
- Molecular Weight：132.119
- Modify Date.: 2022-11-12 07:09
- Introduction: Glycylglycine is the simplest of all peptides and could function as a gamma-glutamyl acceptor.
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1. Names and Identifiers
- 1.1 Name
- Glycylglycine
- 1.2 Synonyms
(2-amino-4-thiazolyl)glyoxylic acid (2-aminothiazol-4-yl)glyoxylic acid (2-amino-thiazol-4-yl)-oxo-acetic acid 2-(2-AMINOTHIAZOL-4-YL) GLYOXYLIC ACID 2-(2-Aminothiazol-4-yl)-2-oxoacetic acid 2-(2-aminothiazol-4-yl)glyoxylic Acid (ATGA) 2-(2-ammonioacetamido)acetate 2-oxo-2-(2-aminothiazol-4-yl)acetic acid ATGA ATGA:2-(2-AMINOTHIAZOL-4-YL) GLYOXYLIC ACID diglycine Diglycocoll EINECS 209-127-8 glycine anhydride glycine dipeptide Glycine, glycyl- Glycyl-glycine Gly-gly H2N-Gly-Gly-OH H-Gly-Gly-OH MFCD00008130 N-Glycylglycine
- 1.3 CAS No.
- 556-50-3
- 1.4 CID
- 11163
- 1.5 EINECS(EC#)
- 209-127-8
- 1.6 Molecular Formula
- C4H8N2O3 (isomer)
- 1.7 Inchi
- InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
- 1.8 InChkey
- YMAWOPBAYDPSLA-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C(C(=O)NCC(=O)O)N
- 1.10 Isomers Smiles
- C(C(=O)NCC(=O)O)N
2. Properties
- 2.1 Density
- 1.337
- 2.1 Melting point
- 262-264℃
- 2.1 Boiling point
- 453.2 °C at 760 mmHg
- 2.1 Refractive index
- 1.4880 (estimate)
- 2.1 Flash Point
- 227.9 °C
- 2.1 Precise Quality
- 132.05300
- 2.1 PSA
- 92.42000
- 2.1 logP
- -0.76290
- 2.1 Solubility
- H2O: 1?M at?20?°C, clear, colorless
- 2.2 Appearance
- white powder
- 2.3 Storage
- -15°C
- 2.4 Chemical Properties
- White crystals
- 2.5 Color/Form
- White
- 2.6 PH
- 4.5-6.0 (20℃, 1M in H2O)
- 2.7 pKa
- 3.139(at 25℃)
- 2.8 Water Solubility
- SOLUBLE IN HOT WATER
- 2.9 Stability
- Stable. Incompatible with strong oxidizing agents.
- 2.10 StorageTemp
- -15°C
3. Use and Manufacturing
- 3.1 Definition
- ChEBI: A dipeptide formed from glycine residues.
- 3.2 Purification Methods
- Crystallise glycylglycine from aqueous 50% EtOH or water at 50-60o by addition of EtOH. Dry it at 110o. It sublimes at 190-200o/0.3mm with 30% recovery [Gross & Gradsky J Am Chem Soc 77 1678 1955, King J Am Chem Soc 79 6153 1957]. [Beilstein 4 IV 2459.] Glycylglycine Preparation Products And Raw materials Raw materials
4. Safety and Handling
- 4.1 Symbol
- GHS07
- 4.1 Hazard Codes
- Xi
- 4.1 Signal Word
- Warning
- 4.1 Risk Statements
- R36
- 4.1 Safety Statements
- S24/25
- 4.1 Hazard Declaration
- H319
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 Caution Statement
- P305 + P351 + P338
- 4.1 WGK Germany
- 3
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Eye irritation, Category 2
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H319 Causes serious eye irritation |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
556-50-3Total: 47 Synthesis Route
9. Other Information
- 9.0 Usage
- Glycylglycine is as a buffering reagent and also used in biochemical research. It is the simplest of all dipeptides and is used as a starting template for preparation of more complex peptides. It is also employed as a practical buffer with a buffering range of 7.5 - 8.9 (at 25°C). Valuable agent for experiments investigating peptide transport and absorption.
- 9.1 Merck
- 14,4503
- 9.2 BRN
- 1765223
- 9.3 Chemical Properties
- White crystals
- 9.4 Definition
- ChEBI: A dipeptide formed from glycine residues.
- 9.5 Purification Methods
- Crystallise glycylglycine from aqueous 50% EtOH or water at 50-60o by addition of EtOH. Dry it at 110o. It sublimes at 190-200o/0.3mm with 30% recovery [Gross & Gradsky J Am Chem Soc 77 1678 1955, King J Am Chem Soc 79 6153 1957]. [Beilstein 4 IV 2459.]
10. Computational chemical data
- Molecular Weight: 132.119g/mol
- Molecular Formula: C4H8N2O3
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 132.05349212
- Monoisotopic Mass: 132.05349212
- Complexity: 123
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 92.4
- Heavy Atom Count: 9
- 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: 1
- CACTVS Substructure Key Fingerprint: AAADccBjMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADBgAQACALAAgAIAAGQGAAAAAAAAAAAAICIAAACQAAAACAQAAAAFgCQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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