1-Benzylpiperidin-3-amine

HCID 421694

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Grundinformationen

CAS: 60407-35-4
Standard-SMILES: NC1CCCN(Cc2ccccc2)C1
InChIKey: HARWNWOLWMTQCC-UHFFFAOYSA-N
Summenformel: C12H18N2
Durchschnittliche Molmasse: 190,28 g/mol
Monoisotopische Masse: 190,14699858

Namen und Bezeichner

Bevorzugter Name: 1-Benzylpiperidin-3-amine
IUPAC: 1-benzylpiperidin-3-amine
Englischer Name: 1-Benzyl-3-aminopiperidine
Summenformel: C12H18N2
Molmasse: 190.28

Namen und Synonyme

1-benzylpiperidin-3-amine60407-35-4DTXSID60329608RefChem:430036DTXCID80280707689-313-71-Benzyl-3-aminopiperidine3-Amino-1-benzylpiperidine1-Benzyl-piperidin-3-ylamine1-Benzylpiperidin-3-ylamineMFCD040384443-Piperidinamine, 1-(phenylmethyl)-

Weitere Namen anzeigen

A401401-BENZYLPIPERIDINE-3-AMINE1-Benzyl-3-aminoxylpiperidine1-benzyl-piperidine-3-ylamine3-Amino-1-benzylpiperidine 2HCl

1-benzyl-3-piperidinylamineAKOS009209938AB13234AC-47681-BENZYL-3-PIPERIDINAMINECS-0141590F8881-1752(3S)-1-(Phenylmethyl)-3-piperidinamine

Datenbank-Bezeichner

CAS: 60407-35-4
PubChem CID: 421694
DTXSID: DTXSID60329608
ChEMBL: CHEMBL4538574
EC Number: 689-313-7
Nikkaji: J1.553.879A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 29,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 164

Physikochemische Eigenschaften

Siedepunkt: 82 °C/0.01mmHg · 82°C/0.01mmHg(lit.)
Dichte: 1.037 · 1.037±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka: 10.21 · 10.21±0.20(Predicted)
Aggregatzustand: powder to lump
Farbe: White to Almost white
CAS Datenbank: 60407 · 60407-35-4(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 (66.7%): 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 3 reports by companies from 3 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.