3,4-Bis(benzyloxy)phenethylaminhydrochlorid
Benzeneethanamine, 3,4-bis(phenylmethoxy)-, hydrochloride (1:1)
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Grundinformationen
- CAS
1699-56-5- Standard-SMILES
Cl.NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1- InChIKey
KXIZXPRLNNDQKS-UHFFFAOYSA-N- Summenformel
- C22H24ClNO2
- Durchschnittliche Molmasse
- 369,9 g/mol
- Monoisotopische Masse
- 369,1495567
Namen und Bezeichner
- Bevorzugter Name
- Benzeneethanamine, 3,4-bis(phenylmethoxy)-, hydrochloride (1:1)
- IUPAC
- 2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride
- Lokaler Name
- 3,4-Bis(benzyloxy)phenethylaminhydrochlorid
- Englischer Name
- 3,4-Dibenzyloxyphenethylamine hydrochloride
- Summenformel
- C22H24ClNO2
- Molmasse
- 369.88
Namen und Synonyme
1699-56-5RefChem:324586Benzeneethanamine, 3,4-bis(phenylmethoxy)-, hydrochloride (1:1)3,4-Dibenzyloxyphenethylamine hydrochloride3,4-(DIBENZYLOXY)PHENETHYLAMINE HYDROCHLORIDE2-[3,4-bis(benzyloxy)phenyl]ethan-1-amine hydrochloride2-(3,4-bis(benzyloxy)phenyl)ethanamine hydrochlorideMFCD000126292-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride3,4-(DIBENZYLOXY)PHENETHYLAMINEHYDROCHLORIDEMLS001359967SMR001224333
Weitere Namen anzeigen
(4-Chloro-3-Nitrophenyl)(cy3,4-DibenzyloxyphenethylamineHCl3,4-dibenzyloxyphenylethylamine hydrochloride3,4-(diphenoxy)benzenethylamine hydrochloride3,4-bis(benzyloxy)phenethylamine hydrochloride(4-CHLORO-3-NITROPHENYL)(CYCLOPROPYL)METHANONE3,4-DIBENZYLOXYPHENETHYLAMINE HYDROCHLORIDE 98%3,4-(Dibenzyloxy)phenethylamine hydrochloride,98%
C22H24ClNO2SCHEMBL5628566CHEMBL1433859DTXSID90937710STR053793,4-(Dibenzyloxy)phenethylamine HClNSC158272AKOS015889380
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 44,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 350
Physikochemische Eigenschaften
- Schmelzpunkt
- 131 · 131-133 °C(lit.)
- InChI
- 1S/C22H23NO2.ClH/c23-14-13-18-11-12-21(24-16-19-7-3-1-4-8-19)22(15-18)25-17-20-9-5-2-6-10-20;/h1-12,15H,13-14,16-17,23H2;1H
- InChIKey
- KXIZXPRLNNDQKS-UHFFFAOYSA-N
- SMILES
- Cl.NCCc1ccc(OCc2ccccc2)c(OCc3ccccc3)c1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
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.；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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 22-37/38-41-50/53
- hazard_code
- Xn,N
- safety_code
Chemie und Industrie
Anwendungen
Verwenden3,4-Dibenzyloxyphenethylamine hydrochloride was used in the synthesis of tetrahydroisoquinoline derivatives containing 4(hexylureido)benzenesulfonamide, human β3 adrenergic receptor agonist. It was used as reagent in synthesis of the prodrugs of dopamine.
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