3-Pyridineacetic acid, hydrochloride (1:1)

HCID 2723724CAS 6419-36-9

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Grundinformationen

Standard-SMILES: Cl.O=C(O)Cc1cccnc1
InChIKey: XVCCOEWNFXXUEV-UHFFFAOYSA-N
Summenformel: C7H8ClNO2
Durchschnittliche Molmasse: 173,6 g/mol

Namen und Bezeichner

Bevorzugter Name: 3-Pyridineacetic acid, hydrochloride (1:1)
IUPAC: 2-pyridin-3-ylacetic acid;hydrochloride

Namen und Synonyme

6419-36-93-Pyridylacetic acid hydrochloride2-(pyridin-3-yl)acetic acid hydrochloridePyridin-3-ylacetic acid hydrochloride3-Pyridineacetic acid, hydrochloride3-Pyridineacetic acid, hydrochloride (1:1)RefChem:2820273-Pyridineacetic acid hydrochlorideMFCD000128193-pyridyl acetic acid HCl2-pyridin-3-ylacetic acid;hydrochloride3-PYRIDINYLACETIC ACID HCL

Weitere Namen anzeigen

3-pyridinylacetic acid-hcl2-(3-pyridyl)acetic acid;hydrochlorideSCHEMBL1778953-Pyridylacetic acid HCl3-pyridine acetic acid hydrochloride3-Pyridylacetic acid (hydrochloride)CS-W004515Pyridine-3-acetic acid hydrochloride

Datenbank-Bezeichner

CAS: 6419-36-9
PubChem CID: 2723724
EC Number: 229-148-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 125

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 76 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.