2-Phenylpropylamine hydrochloride

HCID 89332CAS 20388-87-8

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Grundinformationen

Standard-SMILES: CC(CN)c1ccccc1.Cl
InChIKey: HBVYOCJBEXSCQE-UHFFFAOYSA-N
Summenformel: C9H14ClN
Durchschnittliche Molmasse: 171,67 g/mol
Monoisotopische Masse: 171,08147713

Namen und Bezeichner

Bevorzugter Name: 2-Phenylpropylamine hydrochloride
IUPAC: 2-phenylpropan-1-amine;hydrochloride
Englischer Name: 2-Phenylpropan-1-amine hydrochloride
Summenformel: C9H14ClN
Molmasse: 171.66716

Namen und Synonyme

2-phenylpropan-1-amine hydrochloride20388-87-82-Phenylpropylamine hydrochloridebeta-Methylphenethylamine hydrochlorideUE6X81QXLSPhenethylamine, beta-methyl-, hydrochloride2-PHENYL-1-PROPANAMINE MONOHYDROCHLORIDE.BETA.-METHYLBENZENEETHANAMINE HYDROCHLORIDEBENZENEETHANAMINE, .BETA.-METHYL-, HYDROCHLORIDE (1:1)RefChem:478224Benzeneethanamine, beta-methyl-, hydrochloride (1:1)BETA-METHYLBENZENEETHANAMINE HYDROCHLORIDE

Weitere Namen anzeigen

N-Ethyl-βN-Ethyl-d5-βBMPEA (hydrochloride)2-phenylpropylammonium chlorideBeta-MethylphenylethylaMine HClMETHYLPHENYLETHYLAMINE HCL, BETA-2-Phenyl-1-propanamine hydrochlorideβ-Methylphenethylamine hydrochloride

2-PHENYLPROPYLAMINE HYDROCHLORIDE, (+-)-872-275-252991-03-42-phenylpropan-1-amine;hydrochloridePhenethylamine, beta-methyl-, hydrochloride, (+-)-(R)-2-Phenyl-propyl-1-amine hydrochlorideb-Methylphenethylamine Hydrochloride2-phenyl-1-propylamine HCl

Datenbank-Bezeichner

CAS: 20388-87-8、52991-03-4
PubChem CID: 89332
DTXSID: DTXSID00942557
UNII: UE6X81QXLS
EC Number: 872-275-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 84,7

Physikochemische Eigenschaften

Schmelzpunkt: 143 · 143-144℃
Aggregatzustand: Powder
Farbe: Cream to pale yellow
InChI: InChI=1S/C9H13N.ClH/c1-8(7-10)9-5-3-2-4-6-9;/h2-6,8H,7,10H2,1H3;1H
InChIKey: HBVYOCJBEXSCQE-UHFFFAOYSA-N
SMILES: NCC(C)C1=CC=CC=C1.[H]Cl
CAS Datenbank: 20388 · 20388-87-8

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungBMPEA is a phenethylamine compound and positional isomer of amphetamine that has been found in nutritional supplements and classified as a novel doping substance. It acts as an agonist of the human trace amine-associated receptor 1 (EC50s = 325 and 104 nM for R(+) and S(-) isomers, respectively). This product is intended for forensic and research purposes.

Verwenden2-phenyl-1-propylamine hydrochloride is an amine organic compound, which can be used as pharmaceutical intermediates.