CAS 252932-49-3 3-Amino-2-ethoxycarbonylpyrrole hydrochloride (HCID 16427091)

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 252932-49-3
Standard-SMILES: CCOC(=O)c1[nH]ccc1N.Cl
InChIKey: MWWQOUGXCWIOSR-UHFFFAOYSA-N
Summenformel: C7H11ClN2O2
Durchschnittliche Molmasse: 190,63 g/mol
Monoisotopische Masse: 190,0509053

Namen und Bezeichner

Bevorzugter Name: 3-Amino-2-ethoxycarbonylpyrrole hydrochloride
IUPAC: ethyl 3-amino-1H-pyrrole-2-carboxylate;hydrochloride
Englischer Name: 3-Amino-2-ethoxycarbonylpyrrole hydrochloride
Summenformel: C7H11ClN2O2
Molmasse: 190.63

Namen und Synonyme

3-Amino-2-ethoxycarbonylpyrrole hydrochlorideRefChem:497024801-525-5252932-49-3Ethyl 3-amino-1H-pyrrole-2-carboxylate hydrochloride3-Amino-2-ethoxycarbonylpyrrole HClMFCD040389173-Amino-2-ethoxycarbonylpyrrole, HClethyl 3-amino-1H-pyrrole-2-carboxylate;hydrochloride1H-Pyrrole-2-carboxylic acid, 3-amino-, ethyl ester, hydrochloride (1:1)Ethyl 3-Aminopyrrole-2-carboxylate Hydrochloride3-amino-1h-pyrrole-2-carboxylic acid ethyl ester hydrochloride

Weitere Namen anzeigen

3-AMINO-2-ETHOXYC3-AMINO-2-ETHOXYCARBONYLPYRROLE1H-Pyrrole-2-carboxylic acid, 3-a3-AMINO-2-ETHOXYCARBONYLPYRROLE HCIEthyl3-amino-1H-pyrrole-2-carboxylateEthyl 3-aminopyrrole-2-carboxylate HCl

Ethyl-3-amino-1H-pyrrol-2-carboxylathydrochloridEthyl 3-amino-1H-pyrrole-2-carboxylate HClSCHEMBL352185DTXSID20586013CS-D1578AKOS005145863AC-7908PS-8373

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 68,1 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 149

Physikochemische Eigenschaften

Schmelzpunkt: 198 · 198-204°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C7H10N2O2.ClH/c1-2-11-7(10)6-5(8)3-4-9-6;/h3-4,9H,2,8H2,1H3;1H
InChIKey: MWWQOUGXCWIOSR-UHFFFAOYSA-N
SMILES: C(C1NC=CC=1N)(=O)OCC.Cl
CAS Datenbank: 252932 · 252932-49-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (40%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (40%)；Skin Irrit. 2 (60%)；Skin Sens. 1 (40%)；Eye Irrit. 2A (100%)；STOT SE 3 (60%)

Sicherheitsdaten

hs_code: 2933998090
risk_code: 36/37/38-43
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39-36/37

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Amino-2-ethoxycarbonylpyrrole hydrochloride can be used as an organic synthesis intermediate in the field of pharmaceutical research and development, particularly playing an important role in chemical biology areas such as the construction of complex molecules and the study of enzyme interactions.