CAS 40283-46-3 2-Amino-1,3-thiazole-5-carboxylic acid (HCID 315243)

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Grundinformationen

CAS: 40283-46-3
Standard-SMILES: Nc1ncc(C(=O)O)s1
InChIKey: ZFMRDDYYJJCBKC-UHFFFAOYSA-N
Summenformel: C4H4N2O2S
Durchschnittliche Molmasse: 144,15 g/mol
Monoisotopische Masse: 143,99934855

Namen und Bezeichner

Bevorzugter Name: 2-Amino-1,3-thiazole-5-carboxylic acid
IUPAC: 2-amino-1,3-thiazole-5-carboxylic acid
Englischer Name: 2-Aminothiazole-5-carboxylic acid
Summenformel: C4H4N2O2S
Molmasse: 144.15

Namen und Synonyme

2-amino-1,3-thiazole-5-carboxylic acidRefChem:462935609-810-42-Aminothiazole-5-carboxylic acid40283-46-32-amino-5-thiazolecarboxylic acid5-Thiazolecarboxylic acid, 2-amino-MFCD062035542-Aminothiazole-5-carboxylicAcidNSC239729aminothiazole 5-carboxylic acidSCHEMBL1631557

Weitere Namen anzeigen

RARECHEM AL BE 12632-Amino-5-carboxy-1,3-thiazole2-Aminothizole-5-carboxylic acidHeterocyclic coMpounds / Pyrazole2-AMINOTHIAZOL-5-YLCARBOXYLIC ACID2-Aminothiazole-5-carboxylic acid, >=98%

DTXSID30311171ALBB-022659SBB066572AKOS010056916AB23200AC-3089CS-W003268FA36283

Datenbank-Bezeichner

CAS: 40283-46-3
PubChem CID: 315243
DTXSID: DTXSID30311171
EC Number: 609-810-4
Nikkaji: J371.673B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 104 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 130

Physikochemische Eigenschaften

Schmelzpunkt: 214 · 214-216
Siedepunkt: 415 · 415.0±18.0 °C(Predicted)
Dichte: 1.657 · 1.657±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
pka: 2.14 · 2.14±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Off-white to yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.

Warning

H317 (93%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 43 reports by companies.；There are 3 notifications provided by 42 of 43 reports by companies with hazard statement code(s).；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.