tert-butyl N-(4-methyl-1,3-thiazol-2-yl)carbamate

HCID 45117839

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Grundinformationen

CAS: 848472-44-6
Standard-SMILES: Cc1csc(NC(=O)OC(C)(C)C)n1
InChIKey: JGBZPLSFZVKDDV-UHFFFAOYSA-N
Summenformel: C9H14N2O2S
Durchschnittliche Molmasse: 214,29 g/mol
Monoisotopische Masse: 214,07759887

Namen und Bezeichner

Bevorzugter Name: tert-butyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
IUPAC: tert-butyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
Englischer Name: Carbamic acid, N-(4-methyl-2-thiazolyl)-, 1,1-dimethylethyl ester
Summenformel: C9H14N2O2S
Molmasse: 214.28

Namen und Synonyme

tert-butyl N-(4-methyl-1,3-thiazol-2-yl)carbamateRefChem:896157968-722-7848472-44-6tert-Butyl (4-methylthiazol-2-yl)carbamatetert-butyl 4-methylthiazol-2-ylcarbamateMFCD115019112-(Boc-amino)-4-methylthiazoleCarbamic acid, N-(4-methyl-2-thiazolyl)-, 1,1-dimethylethyl esterSCHEMBL1691027(4-methyl-thiazol-2-yl)-carbamic acid tert-butyl esterSCHEMBL28226290

Weitere Namen anzeigen

1004201,1-Dimethylethyl N-(4-methyl-2-thiazolyl)carbamateCarbamic acid, N-(4-methyl-2-thiazolyl)-, 1,1-dimethylethyl ester

DTXSID10668690JGBZPLSFZVKDDV-UHFFFAOYSA-N2-Methyl-2-propanyl (4-methyl-1,3-thiazol-2-yl)carbamateYIB47244AR2552AKOS014476256AS-45384SY020953

Datenbank-Bezeichner

CAS: 848472-44-6
PubChem CID: 45117839
DTXSID: DTXSID10668690
EC Number: 968-722-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 79,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 215

Physikochemische Eigenschaften

Dichte: 1 · 1+-.0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 5.25 · 5.25±0.70(Predicted)

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.