Ethyl 3-amino-1H-indole-2-carboxylate

ETHYL 3-AMINO-1H-INDOLE-2-CARBOXYLATE · Ethyl 3-amino-2-indolecarboxylate · Ethyl 3-Aminoindole-2-carboxylate · 3-amino-1-ethyl-2-indolecarboxylate · 3-Amino-1H-indole-2-carboxylic acid ethyl ester · 1H-Indole-2-carboxylic acid, 3-amino-, ethyl ester · 1H-Indole-2-carboxylicacid,3-amino-,ethylester(9CI)

https://huagongshe.com/de/chemical/732887

Molekülstruktur von Ethyl 3-amino-1H-indole-2-carboxylate

Identifikatoren & physikalische Daten

CAS No.	87223-77-6
Summenformel	C11H12N2O2
Durchschnittliche Molmasse	204,22 g/mol
Monoisotopische Masse	204,08987762 g/mol
SMILES	CCOC(=O)c1[nH]c2ccccc2c1N
InChIKey	GQXOMZRZCLHBSH-UHFFFAOYSA-N
PubChem CID	732887
EC No.	673-311-8
DTXSID	DTXSID80352690

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	68,1
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	3
Schwere Atome	15
Formalladung	0
Komplexität	245
Schmelzpunkt	153-154°C
Siedepunkt	400.1±25.0 °C(Predicted)
Dichte	1.288
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	15.70±0.30(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.
Hazard Classes and Categories	Acute Tox. 4 (50%)
Zollcode	2933998090
Gefahrensymbole	Xi
Gefahrenklasse	IRRITANT