(Z)-2-Amino-α-(methoxyimino)thiazol-4-essigsure

(alphaZ)-2-Amino-alpha-(methoxyimino)-4-thiazoleacetic acid

HCID 5486924CAS 65872-41-5

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CO/N=C(\C(=O)O)c1csc(N)n1
InChIKey: NLARCUDOUOQRPB-WTKPLQERSA-N
Summenformel: C6H7N3O3S
Durchschnittliche Molmasse: 201,21 g/mol
Monoisotopische Masse: 201,02081227

Namen und Bezeichner

Bevorzugter Name: (alphaZ)-2-Amino-alpha-(methoxyimino)-4-thiazoleacetic acid
IUPAC: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid
Lokaler Name: (Z)-2-Amino-α-(methoxyimino)thiazol-4-essigsure
Englischer Name: 2-(2-Aminothiazole-4-yl)-2-methoxyiminoacetic acid
Summenformel: C6H7N3O3S
Molmasse: 201.2

Namen und Synonyme

65872-41-52-Aminothiazole-methoxyimino acetic acid31Y5PR0Y6RDTXSID601041388ATMAARefChem:405799DTXCID90910144(alphaZ)-2-Amino-alpha-(methoxyimino)-4-thiazoleacetic acidsyn-Thiazoximic AcidCefepime EP Impurity D2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetic acid2-(2-Aminothiazole-4-yl)-2-methoxyiminoacetic acid

Weitere Namen anzeigen

ATMAAMAACefepiMe Related CoMpound D(2-Amino-thiazol-4-yl)-methoxyimino-acetic acidATMIA-4-yLATMAA CASAnsaxime acid

(Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetic acid2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetic acid(Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetic acidsyn-2-(2-Aminothiazol-4-yl)-2-methoxyiminoacetic Acid(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetic acid2-amino-a-(methoxyimino)-4-thiazoleacetic acid(Z)-2-Amino-alpha-methoxyimino-4-thiazoleacetic acid2-(2-Amino-4-thiazolyl)-(Z)-2-methoxyiminoacetic Acid

Datenbank-Bezeichner

CAS: 65872-41-5
PubChem CID: 5486924
DTXSID: DTXSID601041388
UNII: 31Y5PR0Y6R
EC Number: 265-957-0
Nikkaji: J243.069J、J655.668J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 126 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 233

Physikochemische Eigenschaften

Schmelzpunkt: 192 °C · 192 °C (dec.)(lit.)
Siedepunkt: 425.1 · 425.1±37.0 °C(Predicted)
Dichte: 1.463 · 1.463 (estimate)
Brechungsindex: 1.663 · 1.6630 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly, Heated)
pka: 2.97 · 2.97±0.10(Predicted)
Aggregatzustand: solid
Farbe: White to Off-White
Wasserlöslichkeit: 0.6 g/100 · 0.6 g/100 mL (20 ºC)
InChI: InChI=1S/C6H7N3O3S/c1-12-9-4(5(10)11)3-2-13-6(7)8-3/h2H,1H3,(H2,7,8)(H,10,11)/b9-4+
InChIKey: NLARCUDOUOQRPB-RUDMXATFSA-N
SMILES: C1(=CSC(N)=N1)/C(/C(=O)O)=N\OC
CAS Datenbank: 65872 · 65872-41-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 1.8% (1 of 55) of reports.

Warning

H315 (98.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (94.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 55 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 55 reports by companies.；There are 6 notifications provided by 54 of 55 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.