Ethyl 5-amino-2-methylthiazole-4-carboxylate

HCID 13329095CAS 31785-05-4

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Grundinformationen

Standard-SMILES: CCOC(=O)c1nc(C)sc1N
InChIKey: HNDBOQZBZYRXMF-UHFFFAOYSA-N
Summenformel: C7H10N2O2S
Durchschnittliche Molmasse: 186,23 g/mol
Monoisotopische Masse: 186,04629856

Namen und Bezeichner

Bevorzugter Name: Ethyl 5-amino-2-methylthiazole-4-carboxylate
IUPAC: ethyl 5-amino-2-methyl-1,3-thiazole-4-carboxylate
Englischer Name: 5-Amino-2-methyl-thiazole-4-carboxylic acid ethyl ester
Summenformel: C7H10N2O2S
Molmasse: 186.23

Namen und Synonyme

ETHYL 5-AMINO-2-METHYLTHIAZOLE-4-CARBOXYLATERefChem:595660801-994-631785-05-4ethyl 5-amino-2-methyl-1,3-thiazole-4-carboxylate5-AMINO-2-METHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTERMFCD073574185-Amino-2-methylthiazole-4-carboxylic acid ethyl esterethyl 5-amino-2-methyl-thiazole-4-carboxylateHNDBOQZBZYRXMF-UHFFFAOYSA-DTXSID20536992AKOS006284799

Weitere Namen anzeigen

acid ethyl ester5-Amino-2-methyl-thiazole-4-carboxylic5-Amino-4-(ethoxycarbonyl)-2-methyl-1,3-thiazole5-Amino-2-methyl-thiazole-4-carboxylic Ethyl ester5-Amino-2-methylthiazole-4-carboxylic acid ethyl ester AldrichCPR(1R,3R,4R)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxycyclohexanecarboxylic

DS-17644SY065513EN300-998734-Thiazolecarboxylic acid, 5-amino-2-methyl-, ethyl esterAMY11593SCHEMBL1194383HNDBOQZBZYRXMF-UHFFFAOYSA-NGBA78505

Datenbank-Bezeichner

CAS: 31785-05-4
PubChem CID: 13329095
DTXSID: DTXSID20536992
EC Number: 801-994-6
Nikkaji: J344.470H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 93,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 177

Physikochemische Eigenschaften

Schmelzpunkt: 158 · 158-159 °C
Siedepunkt: 301.9 · 301.9±22.0 °C(Predicted)
Dichte: 1.283 · 1.283±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: solid
pka: 2.38 · 2.38±0.10(Predicted)
Farbe: Brown
InChI: 1S/C7H10N2O2S/c1-3-11-7(10)5-6(8)12-4(2)9-5/h3,8H2,1-2H3
InChIKey: HNDBOQZBZYRXMF-UHFFFAOYSA-N
SMILES: CCOC(=O)c1nc(C)sc1N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.