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Home> Encyclopedia >Pharmaceutical Intermediates>Organic Intermediate>Organic Intermediates
Glycylglycine structure
Glycylglycine structure

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. View more+
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

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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