p-Chlorphenethylamin

2-(4-Chlorophenyl)ethylamine

HCID 67430CAS 156-41-2

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Grundinformationen

Standard-SMILES: NCCc1ccc(Cl)cc1
InChIKey: SRXFXCKTIGELTI-UHFFFAOYSA-N
Summenformel: C8H10ClN
Durchschnittliche Molmasse: 155,62 g/mol
Monoisotopische Masse: 155,050177

Überblick

RN given refers to parent cpd

Namen und Bezeichner

Bevorzugter Name: 2-(4-Chlorophenyl)ethylamine
IUPAC: 2-(4-chlorophenyl)ethanamine
Lokaler Name: p-Chlorphenethylamin
Englischer Name: 4-Chlorophenethylamine
Summenformel: C8H10ClN
Molmasse: 155.62

Namen und Synonyme

156-41-24-Chlorophenethylamine2-(4-Chlorophenyl)ethylamine4-Chlorobenzeneethanamine4-chlorophenylethylamineDTXSID40166018RefChem:98594DTXCID4088509205-853-42-(4-Chlorophenyl)ethanamineBenzeneethanamine, 4-chloro-2-(4-chlorophenyl)ethan-1-amine

Weitere Namen anzeigen

5-bromo-4-(trifluoromethyl)pyridin-2-amine6-iodopyridazin-3-amine6-bromoimidazo[1,2-a]pyridin-2-amine(5-Fluoropyridin-3-yl)methanamine6-bromo-2,4-dimethylpyridin-3-amine6-bromoimidazo[1,2-a]pyridin-3-amine

p-Chlorophenethylamine2-(p-Chlorophenyl)ethylamine2-(4-chloro-phenyl)-ethylamineMFCD00008191p-chlorophenylethylamine1-Amino-2-(4-chlorophenyl)ethaneCHEMBL477764EINECS 205-853-4

Datenbank-Bezeichner

CAS: 156-41-2
PubChem CID: 67430
DTXSID: DTXSID40166018
ChEMBL: CHEMBL477764
EC Number: 205-853-4
Nikkaji: J5.182I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 87,3

Experimentelle und physikochemische Eigenschaften

Collision Cross Section132.53 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Siedepunkt: 60 · 60-65 °C0.1 mm Hg(lit.)
Dichte: 1.112 g/mL · 1.112 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.548(lit.)
Flammpunkt: 223 °F · 223 °F
storage temp.: Store Cold
Aggregatzustand: Liquid
pka: 9.72 · 9.72±0.10(Predicted)
Wichte: 1.12 · 1.12
Farbe: Clear colorless to yellow
BRN: 508247 · 508247
InChI: InChI=1S/C8H10ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKey: SRXFXCKTIGELTI-UHFFFAOYSA-N
SMILES: C1(CCN)=CC=C(Cl)C=C1
CAS Datenbank: 156 · 156-41-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.7%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)

Sicherheitsdaten

wgk: 3
hs_code: 29214990
risk_code: 36/37/38-34
hazard_code: Xi,C,T
hazard_note: Corrosive
safety_code: 26-36-45-36/37/39
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-(4-Chlorophenyl)ethylamine has been used as a reactant in the preparation of isoalloxazine derivatives as cholinesterase inhibitors with a potential use in Alzheimer therapy.