3,4-Bis(benzyloxy)phenethylamine hydrochloride

HCID 423869CAS 1699-56-5

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Grundinformationen

Standard-SMILES: NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIKey: JXPQMHIXNPWEEK-UHFFFAOYSA-N
Summenformel: C22H23NO2
Durchschnittliche Molmasse: 333,4 g/mol

Überblick

2-[3,4-bis(phenylmethoxy)phenyl]ethanamine is a primary amine.

Namen und Bezeichner

Bevorzugter Name: 3,4-Bis(benzyloxy)phenethylamine hydrochloride
IUPAC: 2-[3,4-bis(phenylmethoxy)phenyl]ethanamine

Namen und Synonyme

3,4-Bis(benzyloxy)phenethylamine hydrochlorideEINECS 216-924-4NSC 158272RefChem:485809216-924-455536-65-72-[3,4-bis(phenylmethoxy)phenyl]ethanamine2-[3,4-BIS(BENZYLOXY)PHENYL]ETHANAMINE3,4-dibenzyloxyphenethylamine3,4-Bis(phenylmethoxy)benzeneethanamineMLS0013599672-[3,4-bis(phenylmethoxy)phenyl]ethylamine

Weitere Namen anzeigen

SMR0012243333,4-BIS(BENZYLOXY)PHENETHYLAMINE3,4-dibenzyloxyphenethyl amineSCHEMBL3272392SCHEMBL7802750CHEMBL1620644BDBM79263cid_2723941

Datenbank-Bezeichner

CAS: 1699-56-5
PubChem CID: 423869
ChEMBL: CHEMBL1620644
ChEBI: CHEBI:125481
EC Number: 216-924-4
Nikkaji: J231.955A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 44,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 8
Schwere Atome: 25
Formalladung: 0
Komplexität: 350

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.