N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide

HCID 519881

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Grundinformationen

CAS: 21674-96-4
Standard-SMILES: CC(=O)Nc1ccc(-c2csc(N)n2)cc1
InChIKey: VBBNSESFUHRMJU-UHFFFAOYSA-N
Summenformel: C11H11N3OS
Durchschnittliche Molmasse: 233,29 g/mol
Monoisotopische Masse: 233,06228316

Namen und Bezeichner

Bevorzugter Name: N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide
IUPAC: N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide
Englischer Name: N-(4-(4-Amino-3,5-thiazolyl)phenyl)ethanamide
Summenformel: C11H11N3OS
Molmasse: 233.29

Namen und Synonyme

21674-96-4N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamideDTXSID20334177n-(4-(2-amino-1,3-thiazol-4-yl)phenyl)acetamideN-[4-(2-amino-1,3-thiazol-4-yl)phenyl}acetamideRefChem:361623DTXCID30285267693-703-24-(4-Acetamidophenyl)-2-aminothiazoleMFCD00207103N-(4-(2-aminothiazol-4-yl)phenyl)acetamide2-amino-4-(4-acetamidophenyl)thiazole

Weitere Namen anzeigen

TIMTEC-BB SBB0007194-(4-Acetamidophenyl)4-(4-Acetamidophenyl)-2-aminothiazolN-[4-(2-amino-4-thiazolyl)phenyl]acetamideAcetamide,N-[4-(2-amino-4-thiazolyl)phenyl]-

N-(4-(4-AMINO-3,5-THIAZOLYL)PHENYL)ETHANAMIDEN-[4-(2-aminothiazol-4-yl)phenyl]acetamideAcetamide, N-[4-(2-amino-4-thiazolyl)phenyl]-O0JCBMicro_030947Cambridge id 5835173N-[4-(2-Amino-thiazol-4-yl)-phenyl]-acetamideOprea1_107499

Datenbank-Bezeichner

CAS: 21674-96-4
PubChem CID: 519881
DTXSID: DTXSID20334177
EC Number: 693-703-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 96,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 254

Physikochemische Eigenschaften

Schmelzpunkt: 252 · 252-256 °C
Siedepunkt: 526.3 · 526.3±33.0 °C(Predicted)
Dichte: 1.35 · 1.350±0.06 g/cm3(Predicted)
pka: 14.59 · 14.59±0.70(Predicted)
CAS Datenbank: 21674 · 21674-96-4(CAS DataBase Reference)

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 42 reports by companies from 4 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.