Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate hydrochloride
Grundinformationen
- CAS
18513-77-4- Standard-SMILES
CCOC(=O)C1=CCCNC1.Cl- InChIKey
MIRJGPRWVWWNQH-UHFFFAOYSA-N- Summenformel
- C8H14ClNO2
- Durchschnittliche Molmasse
- 191,65 g/mol
- Monoisotopische Masse
- 191,0713064
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate hydrochloride
- IUPAC
- ethyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrochloride
Namen und Synonyme
Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate hydrochloride3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, ethyl ester, hydrochloride (1:1)RefChem:593186840-275-118513-77-4Ethyl 1,2,5,6-tetrahydro-3-pyridinecarboxylate hydrochloride3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, ethyl ester, hydrochlorideethyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrochlorideSCHEMBL7923304DTXSID90171718MIRJGPRWVWWNQH-UHFFFAOYSA-NFA74012
Weitere Namen anzeigen
G49105EN300-6736438Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate HCl1,2,5,6-tetrahydropyridine-3-carboxylic acid ethyl ester hydrochlorideEthyl 1,2,5,6-tetrahydropyridine-3-carboxylate--hydrogen chloride (1/1)
Datenbank-Bezeichner
- CAS
18513-77-4- PubChem CID
- 205700
- DTXSID
DTXSID90171718- EC Number
- 840-275-1
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 38,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 175
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 2 reports by companies from 2 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Zugehörige Reaktionen
4
Notizen zur Verbindung
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