2-Hydroxy-4-(methylsulfanyl)butanamide

HCID 10313220

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Grundinformationen

CAS: 49540-21-8
Standard-SMILES: CSCCC(O)C(N)=O
InChIKey: INTUDBWOILOBCE-UHFFFAOYSA-N
Summenformel: C5H11NO2S
Durchschnittliche Molmasse: 149,21 g/mol
Monoisotopische Masse: 149,05104977

Namen und Bezeichner

Bevorzugter Name: 2-Hydroxy-4-(methylsulfanyl)butanamide
IUPAC: 2-hydroxy-4-methylsulfanylbutanamide
Englischer Name: 2-Hydroxy-4-methylthiobutanamide
Summenformel: C5H11NO2S
Molmasse: 149.21

Namen und Synonyme

49540-21-82-hydroxy-4-(methylsulfanyl)butanamideDTXSID50437963RefChem:261699DTXCID70388786845-177-22-hydroxy-4-(methylthio)butanamide2-hydroxy-4-methylsulfanylbutanamide2-hydroxy-4-(methylthio) butanamideMFCD16694143Butanamide, 2-hydroxy-4-(methylthio)-2-hydroxypentanethioamide

Weitere Namen anzeigen

2-Hydroxy-4-methylthiobutanamide

Phytonadione Impurity 29SCHEMBL687227Adenosyl Methionine Impurity 122-hydroxy-4-methylthiobutylamideINTUDBWOILOBCE-UHFFFAOYSA-NZBA540212-hydroxy-4-(methylthio)-butaneamideAKOS011508290

Datenbank-Bezeichner

CAS: 49540-21-8
PubChem CID: 10313220
DTXSID: DTXSID50437963
EC Number: 845-177-2
Nikkaji: J1.357.858C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,5
Polarare Oberfläche (TPSA): 88,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 9
Formalladung: 0
Komplexität: 97

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.