Methyl 2-amino-5-phenylthiophene-3-carboxylate

HCID 705256CAS 61325-02-8

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Grundinformationen

Standard-SMILES: COC(=O)c1cc(-c2ccccc2)sc1N
InChIKey: QKYRXLPXSJZIQM-UHFFFAOYSA-N
Summenformel: C12H11NO2S
Durchschnittliche Molmasse: 233,29 g/mol
Monoisotopische Masse: 233,05104959

Namen und Bezeichner

Bevorzugter Name: Methyl 2-amino-5-phenylthiophene-3-carboxylate
IUPAC: methyl 2-amino-5-phenylthiophene-3-carboxylate
Englischer Name: METHYL 2-AMINO-5-PHENYLTHIOPHENE-3-CARBOXYLATE
Summenformel: C12H11NO2S
Molmasse: 233.29

Namen und Synonyme

methyl 2-amino-5-phenylthiophene-3-carboxylate61325-02-8DTXSID80351623RefChem:354069DTXCID70302689MFCD020909362-Amino-5-phenyl-thiophene-3-carboxylic acid methyl estermethyl 2-amino-5-phenyl-thiophene-3-carboxylate2-Amino-5-phenylthiophene-3-carboxylic acid methyl estermethyl 2-amino-5-phenyl-3-thiophenecarboxylateMethyl2-Amino-5-Phenylthiophene-3-CarboxylateOprea1_082612

Weitere Namen anzeigen

METHYL 2-AMINO-5-PHENYLTHIOPHENE-3-CARBOXYLATMethyl 2-amino-5-phenylthiophene-3-carboxylate ,99%2-amino-5-phenyl-3-thiophenecarboxylic acid methyl ester3-Thiophenecarboxylic acid, 2-aMino-5-phenyl-, Methyl estermethyl 2-amino-5-phenylthiophene-3-carboxylate(SALTDATA: FREE)

MLS000528771SCHEMBL1563613CHEMBL1389689QKYRXLPXSJZIQM-UHFFFAOYSA-NHMS1691F18HMS2345P24ALBB-001959BBL016138

Datenbank-Bezeichner

CAS: 61325-02-8
PubChem CID: 705256
DTXSID: DTXSID80351623
ChEMBL: CHEMBL1389689
EC Number: 672-044-4
Nikkaji: J784.974E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 80,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 253

Physikochemische Eigenschaften

Schmelzpunkt: 195 ° · 195°
storage temp.: 2 · 2-8°C

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.