N-Acetylglycin
Acetylglycine
Grundinformationen
- CAS
543-24-8- Standard-SMILES
CC(=O)NCC(=O)O- InChIKey
OKJIRPAQVSHGFK-UHFFFAOYSA-N- Summenformel
- C4H7NO3
- Durchschnittliche Molmasse
- 117,1 g/mol
- Monoisotopische Masse
- 117,04259308
Überblick
N-acetylglycine is an N-acylglycine where the acyl group is specified as acetyl. It has a role as a human metabolite. It is a N-acylglycine and a N-acetyl-amino acid. It is a conjugate acid of a N-acetylglycinate.
Namen und Bezeichner
- Bevorzugter Name
- Acetylglycine
- IUPAC
- 2-acetamidoacetic acid
- Lokaler Name
- N-Acetylglycin
- Englischer Name
- N-Acetylglycine
- Summenformel
- C4H7NO3
- Molmasse
- 117.1
Namen und Synonyme
N-ACETYLGLYCINE543-24-82-Acetamidoacetic acidAceturic acidAcetamidoacetic acidAcetylglycineGlycine, N-acetyl-Acetylaminoacetic acidAcetylglycocollEthanoylaminoethanoic acidU2UT4677KRacetylaminoacetate
Weitere Namen anzeigen
N-Ac-Gly-OHN-AceylglycineAC GLYNSC 7605AC-GLYCINEAKOS B029711
NSC-7605DTXSID2043793CHEBI:40410acetylglycinateRefChem:162741DTXCID0023793208-839-6Ac-Gly-OH
Datenbank-Bezeichner
- CAS
543-24-8- PubChem CID
- 10972
- DTXSID
DTXSID2043793- ChEMBL
CHEMBL289004- ChEBI
CHEBI:40410- UNII
- U2UT4677KR
- EC Number
- 208-839-6
- Nikkaji
- J2.645J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,2
- Polarare Oberfläche (TPSA)
- 66,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 110
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Amino Carboxylic Acids
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesBoiling point
Solubility26.3 mg/mL at 15 °C
Melting Point207 - 209 °C
Physical Description
Solid; [Merck Index] White powder; [Alfa Aesar MSDS]
Solid
Collision Cross Section
133 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
132.3 Ų [M+Na]+
Physikochemische Eigenschaften
- Schmelzpunkt
- 207 · 207-209 °C (lit.)
- Siedepunkt
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.
Warning
H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Glycine, N-acetyl-
Glycine, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (25%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2924199090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26
- hazard_class
- IRRITANT
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
Verwendung und Herstellung
General Manufacturing InformationGlycine, N-acetyl-: ACTIVE
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Zugehörige Reaktionen
151
Notizen zur Verbindung
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