Acetylcysteamine

HCID 14484CAS 1190-73-4

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Grundinformationen

Standard-SMILES: CC(=O)NCCS
InChIKey: AXFZADXWLMXITO-UHFFFAOYSA-N
Summenformel: C4H9NOS
Durchschnittliche Molmasse: 119,19 g/mol
Monoisotopische Masse: 119,04048491

Überblick

N-acetylcysteamine is a member of the class of acetamides that is the N-acetyl-deriavtive of cysteamine. It has a role as a metabolite. It is functionally related to a cysteamine.

Namen und Bezeichner

Bevorzugter Name: Acetylcysteamine
IUPAC: N-(2-sulfanylethyl)acetamide
Englischer Name: N-(2-Mercaptoethyl)acetamide
Summenformel: C4H9NOS
Molmasse: 119.19

Namen und Synonyme

N-Acetylcysteamine1190-73-4N-(2-Mercaptoethyl)acetamideAcetylcysteamine2-AcetamidoethanethiolN-AcetylmercaptoethylamineCysteamine,N-acetylNSH3F3JX85N-acetyl-beta-mercaptoethylamineDTXSID90152289NSC-38835thiol N-acetyl-beta-mercaptoethylamine

Weitere Namen anzeigen

n-acetylcysteamin2-(acetylamino)-ethanethio

CHEBI:74410TNA-mercaptoethylamineRefChem:462774DTXCID8074780Acetamide, N-(2-mercaptoethyl)-N-(2-Sulfanylethyl)acetamideCysteamine, N-acetyl-N-Acetyl cysteamin

Datenbank-Bezeichner

CAS: 1190-73-4
PubChem CID: 14484
DTXSID: DTXSID90152289
ChEBI: CHEBI:74410
UNII: NSH3F3JX85
EC Number: 683-054-3
Nikkaji: J13.153I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 30,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 64,7

Physikochemische Eigenschaften

Schmelzpunkt: 6 · 6-7 °C (lit.)
Siedepunkt: 138 · 138-140 °C/7 mmHg (lit.)
Dichte: 1.121 g/mL · 1.121 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.511(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Ether; Dichloromethane; Ethyl Acetate; Methanol
Aggregatzustand: liquid
pka: 9.92 · 9.92±0.10(Predicted)
Farbe: Clear
InChI: 1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6)
InChIKey: AXFZADXWLMXITO-UHFFFAOYSA-N
SMILES: CC(=O)NCCS

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.