1-(Pyridin-4-yl)piperidine-4-carboxylic acid hydrochloride

HCID 16217269

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Grundinformationen

CAS: 210962-09-7
Standard-SMILES: Cl.O=C(O)C1CCN(c2ccncc2)CC1
InChIKey: AFFOXJSAQYSQIM-UHFFFAOYSA-N
Summenformel: C11H15ClN2O2
Durchschnittliche Molmasse: 242,7 g/mol
Monoisotopische Masse: 242,0822054

Namen und Bezeichner

Bevorzugter Name: 1-(Pyridin-4-yl)piperidine-4-carboxylic acid hydrochloride
IUPAC: 1-pyridin-4-ylpiperidine-4-carboxylic acid;hydrochloride
Englischer Name: 1-(4-Pyridinyl)-4-piperidinecarboxylic
Summenformel: C11H15ClN2O2
Molmasse: 242.7

Namen und Synonyme

210962-09-71-(pyridin-4-yl)piperidine-4-carboxylic acid hydrochlorideRefChem:428585824-827-9MFCD040399193,4,5,6-TETRAHYDRO-2H-[1,4']BIPYRIDINYL-4-CARBOXYLIC ACID HYDROCHLORIDESCHEMBL33192714-Piperidinecarboxylic acid, 1-(4-pyridinyl)-, hydrochloride (1:1)1-pyridin-4-ylpiperidine-4-carboxylic acid;hydrochlorideMB03163DS-17172EN300-53533

Weitere Namen anzeigen

1-(4-Pyridinyl)-4-piperidinecaboxylic acid monohydrochloride1-(4-Pyridinyl)-4-piperidinecaboxylic acid Monohydrochloride,98%1-(4-Pyridinyl)-4-piperidinecaboxylic acid monohydrochloride 98%

1-(Pyridin-4-yl)piperidine-4-carboxylic acid HCl1-(4-pyridyl)piperidine-4-carboxylic acid hydrochloride1-(4-pyridyl)-piperidine-4-carboxylic acid hydrochloride1-(4-pyridyl)piperidine-4-carboxylic acid, chlorideAMY288391-(4-Pyridinyl)-4-piperidinecarboxylic4-Piperidinecarboxylic acid, 1-(4-pyridinyl)-, monohydrochlorideAFFOXJSAQYSQIM-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 210962-09-7
PubChem CID: 16217269
EC Number: 824-827-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 53,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 219

Physikochemische Eigenschaften

Schmelzpunkt: 223 · 223-226 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
InChI: 1S/C11H14N2O2.ClH/c14-11(15)9-3-7-13(8-4-9)10-1-5-12-6-2-10;/h1-2,5-6,9H,3-4,7-8H2,(H,14,15);1H
InChIKey: AFFOXJSAQYSQIM-UHFFFAOYSA-N
SMILES: Cl[H].OC(=O)C1CCN(CC1)c2ccncc2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.