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Home> Encyclopedia >Pharmaceutical Intermediates>Organic Intermediate>Pharmaceuticals and Biochemicals
N-Acetylglycine structure
N-Acetylglycine structure

N-Acetylglycine

Iupac Name:2-acetamidoacetic acid
CAS No.: 543-24-8
Molecular Weight:117.10328
Modify Date.: 2022-10-30 08:04
Introduction: N-Acetylglycine is a minor constituent of numerous foods with no genotoxicity or acute toxicity. N-acetylglycine is used in biological research of peptidomimetics. View more+
1. Names and Identifiers
1.1 Name
N-Acetylglycine
1.2 Synonyms

(ACETYLAMINO)ACETIC ACID (Z)-N-(1-Hydroxyethylidene)glycine 2-(Acetylamino)acetic acid AC GLY acetamidoacetic acid ACETOGLYCINE ACETURIC ACID ACETYGLYCINE ACETYL GLYCOCOLL acetylaminoacetic acid ACETYL-GLYCIN ACETYL-GLYCINE AC-GLYCINE AC-GLY-OH AKOS B029711 CH3CONHCH2COOH EINECS 208-839-6 Ethanoylaminoethanoic acid Ethanoylaminoethanoicacid Glycine, N-(1-hydroxyethylidene)-, (Z)- Glycine, N-acetyl- Glycine,N-acetyl- MFCD00004275 N-acetyl-Gly N-acetyl-glycine N-Ac-Gly-OH

1.3 CAS No.
543-24-8
1.4 CID
10972
1.5 EINECS(EC#)
208-839-6
1.6 Molecular Formula
C4H7NO3 (isomer)
1.7 Inchi
InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
1.8 InChkey
OKJIRPAQVSHGFK-UHFFFAOYSA-N
1.9 Canonical Smiles
CC(=O)NCC(=O)O
1.10 Isomers Smiles
CC(=O)NCC(=O)O
2. Properties
2.1 Density
1.231
2.1 Melting point
207-209℃
2.1 Boiling point
405.1 °C at 760 mmHg
2.1 Refractive index
1.4540 (estimate)
2.1 Flash Point
405.1 °C at 760 mmHg
2.1 Precise Quality
117.04300
2.1 PSA
66.40000
2.1 logP
-0.40200
2.1 Solubility
26.3g/l
2.2 Appearance
white powder
2.3 Storage
Ambient temperatures.
2.4 Chemical Properties
white to light yellow crystal powde
2.5 Color/Form
White
2.6 pKa
3.669(at 25℃)
2.7 Water Solubility
2.7 g/100 mL (15 oC)
2.8 Stability
Stable under normal temperatures and pressures.
2.9 StorageTemp
Sealed in dry,Room Temperature
3. Use and Manufacturing
3.1 Definition
ChEBI: An N-acylglycine where the acyl group is specified as acetyl.
3.2 Purification Methods
N-Acetylglycine is treated with acid-washed charcoal and recrystallised three times from water or EtOH/Et2O and is dried in vacuo over KOH [King & King J Am Chem Soc 78 1089 1956]. [Beilstein 4 IV 2399.] N-Acetylglycine Preparation Products And Raw materials Preparation Products
4. Safety and Handling
4.1 Hazard Codes
Xi
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S22;S24/25
4.1 Hazard Class
IRRITANT
4.1 RIDADR
25kgs
4.1 WGK Germany
3
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

9. Other Information
9.0 Merck
14,80
9.1 BRN
774114
9.2 Chemical Properties
white to light yellow crystal powde
9.3 Definition
ChEBI: An N-acylglycine where the acyl group is specified as acetyl.
9.4 Purification Methods
N-Acetylglycine is treated with acid-washed charcoal and recrystallised three times from water or EtOH/Et2O and is dried in vacuo over KOH [King & King J Am Chem Soc 78 1089 1956]. [Beilstein 4 IV 2399.]
10. Computational chemical data
  • Molecular Weight: 117.10328g/mol
  • Molecular Formula: C4H7NO3
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 117.042593085
  • Monoisotopic Mass: 117.042593085
  • Complexity: 110
  • Rotatable Bond Count: 2
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 66.4
  • Heavy Atom Count: 8
  • 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: AAADcYBiMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADBgAQCCALAAgAIAAGQGAAAAAAAAAAAAICIAAACAAAAACAAAAAAFgCQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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