1-Benzyl-4-piperidylamin

1-Benzyl-4-piperidylamine

HCID 415852CAS 50541-93-0

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Grundinformationen

Standard-SMILES: NC1CCN(Cc2ccccc2)CC1
InChIKey: YUBDLZGUSSWQSS-UHFFFAOYSA-N
Summenformel: C12H18N2
Durchschnittliche Molmasse: 190,28 g/mol
Monoisotopische Masse: 190,14699858

Namen und Bezeichner

Bevorzugter Name: 1-Benzyl-4-piperidylamine
IUPAC: 1-benzylpiperidin-4-amine
Lokaler Name: 1-Benzyl-4-piperidylamin
Englischer Name: 4-Amino-1-benzylpiperidine
Summenformel: C12H18N2
Molmasse: 190.28

Namen und Synonyme

4-Amino-1-benzylpiperidine50541-93-01-Benzyl-4-aminopiperidine1-(Phenylmethyl)-4-piperidinamine1-Benzyl-4-piperidylamine1-Benzyl-4-piperidinaminen-benzyl-4-aminopiperidine4-Amino-N-benzylpiperidine6QX28DE2951-benzyl-4-piperidinylamineEINECS 256-620-9NSC 730607

Weitere Namen anzeigen

1-BENZYL-PIPERIDIN-4-YLAMINE4-(PIPERIDIN-1-YLMETHYL)ANILINE4-PiperiAKOS B014375AKOS MSC-0180ASISCHEM W546451-benzyl-4-aMinoAKOS BOR-MOSH-08

DTXSID601985782-AMINO-1-BENZYLPIPERIDINERefChem:429948DTXCID20121069256-620-9N-BENZYL-4-PIPERIDINAMINE1-benzylpiperidin-4-amine4-Piperidinamine, 1-(phenylmethyl)-

Datenbank-Bezeichner

CAS: 50541-93-0
PubChem CID: 415852
DTXSID: DTXSID60198578
ChEMBL: CHEMBL366500
UNII: 6QX28DE295
EC Number: 256-620-9
Nikkaji: J207.965H

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: 156

Physikochemische Eigenschaften

Schmelzpunkt: 121 · 121-122 °C(Solv: water (7732-18-5); ethanol (64-17-5))
Siedepunkt: 152 °C · 152 °C (9.7 mmHg)
Dichte: 0.933 g/mL · 0.933 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.543(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: 10 g/l · 10g/l
Aggregatzustand: Liquid
pka: 10.15 · 10.15±0.20(Predicted)
Farbe: Clear colorless to light yellow
PH: 11.4 · 11.4 (10g/l, H2O)
Wasserlöslichkeit: immiscible
BRN: 146038 · 146038
InChI: 1S/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
InChIKey: YUBDLZGUSSWQSS-UHFFFAOYSA-N
SMILES: NC1CCN(CC1)Cc2ccccc2
CAS Datenbank: 50541 · 50541-93-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (92.3%): 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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information4-Amino-N-benzylpiperidine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (92.3%)

Sicherheitsdaten

F: 8-10-34
wgk: 3
ridadr: UN2735
hs_code: 29333999
risk_code: 36/37/38-36
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Skin Irrit. 2

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Amino-1-benzylpiperidine was used in the preparation of:butyl 4-amino-1-piperidineacetate, key intermediate required for the synthesis of butyl 4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1-piperidineacetate5-alkylimino-1,2,4-thiadiazolidine-3-ones, such as 4-ethyl-5-[imino-[1-(phenylmethyl)-4-piperidinyl]]-2-methyl-1,2,4-thiadiazolidin-3-one and 4-benzyl-5-[imino-[1-(phenylmethyl)-4-piperidinyl]]-2-isopropyl-1,2,4-thiadiazolidin-3-oneglycyrrhetinic acid derivatives