1-Benzylpiperidin

1-Benzylpiperidine

HCID 76190

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Grundinformationen

CAS: 2905-56-8
Standard-SMILES: c1ccc(CN2CCCCC2)cc1
InChIKey: NZVZVGPYTICZBZ-UHFFFAOYSA-N
Summenformel: C12H17N
Durchschnittliche Molmasse: 175,27 g/mol
Monoisotopische Masse: 175,13609955

Namen und Bezeichner

Bevorzugter Name: 1-Benzylpiperidine
IUPAC: 1-benzylpiperidine
Lokaler Name: 1-Benzylpiperidin
Englischer Name: 1-Benzylpiperidine
Summenformel: C12H17N
Molmasse: 175.27

Namen und Synonyme

1-Benzylpiperidine2905-56-8Piperidine, 1-(phenylmethyl)-N-benzylpiperidine7HZE16210BJ80.591BDTXSID80183289RefChem:75014DTXCID40105780220-809-4benzylpiperidineMFCD00224901

Weitere Namen anzeigen

1-Benzylpiperidin1-Benzylpiperdine1-Benzylpiperidine >Benidipine Impurity 281-Benzylpiperidine, 95%Cefoperazone Monomer-d5

1-(phenylmethyl)piperidineUNII-7HZE16210Bbenzyl-piperidineN-benzyl piperidineN-benzyl-piperidine1-benzyl-piperidineEINECS 220-809-41-Benzylpiperidine #

Datenbank-Bezeichner

CAS: 2905-56-8
PubChem CID: 76190
DTXSID: DTXSID80183289
ChEMBL: CHEMBL1195764
UNII: 7HZE16210B
EC Number: 220-809-4
Nikkaji: J80.591B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 132

Physikochemische Eigenschaften

Schmelzpunkt: 178 · 178-179 °C
Siedepunkt: 120 · 120-123°C 9mm
Dichte: 0 · 0,95 g/cm3
Brechungsindex: 1.526 · 1.5260
Flammpunkt: 120 · 120-123°C/9mm
storage temp.: Sealed in dry,Room Temperature
Wasserlöslichkeit: Insoluble in water
Aggregatzustand: clear liquid
pka: 9.02 · 9.02±0.10(Predicted)
Farbe: Colorless to Light yellow
BRN: 5639 · 5639
CAS Datenbank: 2905 · 2905-56-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): 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 5 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.