2-(7-Methoxynaphthalen-1-yl)ethan-1-amine hydrochloride
Grundinformationen
- CAS
139525-77-2- Standard-SMILES
COc1ccc2cccc(CCN)c2c1.Cl- InChIKey
HPYGZUDDGWEYDQ-UHFFFAOYSA-N- Summenformel
- C13H16ClNO
- Durchschnittliche Molmasse
- 237,72 g/mol
- Monoisotopische Masse
- 237,09204181
Namen und Bezeichner
- Bevorzugter Name
- 2-(7-Methoxynaphthalen-1-yl)ethan-1-amine hydrochloride
- IUPAC
- 2-(7-methoxynaphthalen-1-yl)ethanamine;hydrochloride
- Englischer Name
- 2-(7-Methoxy-1-naphthyl)ethylamine hydrochloride
- Summenformel
- C13H15NO.HCl
- Molmasse
- 237.73
Namen und Synonyme
2-(7-METHOXY-1-NAPHTHYL)ETHYLAMINE HYDROCHLORIDE2-(7-methoxynaphthalen-1-yl)ethan-1-amine hydrochlorideRefChem:459343604-144-0139525-77-22-(7-methoxynaphthalen-1-yl)ethanamine hydrochlorideMFCD131858842-(7-Methoxy-1-naphthyl)ethylamine HClAgomelatine Impurity O1-Naphthaleneethanamine, 7-methoxy-, hydrochloride (1:1)2-(7-Methoxynaphthalen-1-yl)ethanaminehydrochloride2-(7-methoxynaphthalen-1-yl)ethanamine;hydrochloride
Weitere Namen anzeigen
1-naphthaleneethanamine, 7-Methoxy-hydrochloride2-(7-MethoxyAgomelatine-13Agomelatine Impurity 4Iloperidone IntermediatesAgomelatine Impurity A HClAgomelatine intermediate 22-(7-Methoxynaphthalen-1-yl)
7-methoxy-1-Naphthaleneethanamine hydrochlorideAgomelatine Impurity 141-Naphthaleneethanamine, 7-methoxy-, hydrochloride (9CI); 2-(7-Methoxy-1-naphthyl)ethanamine hydrochloride; 2-(7-Methoxynaphthalen-1-yl)ethanamine hydrochloride; Agomelatine Impurity A HCl2-(7-methoxy-1-naphthyl)ethanamine;hydrochloride1-Naphthaleneethanamine, 7-methoxy-, hydrochlorideSCHEMBL5777582-(7-methoxynaphthalen-1-yl)ethanamine,hydrochlorideorb1297816
Datenbank-Bezeichner
- CAS
139525-77-2- PubChem CID
- 16050055
- DTXSID
DTXSID00581546- EC Number
- 604-144-0
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 35,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 195
Physikochemische Eigenschaften
- Schmelzpunkt
- 245 °C · 245 °C
- Dichte
- 1230 at · 1230 at 19℃
- Dampfdruck
- 5.4 Pa · 5.4Pa at 25℃
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Water (Very Slightly, Heated)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Stabilität
- Hygroscopic
- InChI
- InChI=1S/C13H15NO.ClH/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12;/h2-6,9H,7-8,14H2,1H3;1H
- InChIKey
- HPYGZUDDGWEYDQ-UHFFFAOYSA-N
- SMILES
- NCCC1C2C=C(OC)C=CC=2C=CC=1.Cl
- LogP
- 1.071 at · 1.071 at 25℃ and pH5-9
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 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 15-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22470
Hazard Classes and CategoriesAcute Tox. 4 (75%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Anwendungen
Verwenden7-Methoxy-1-naphthaleneethanamine Hydrochloride acts as a reagent for the synthesis of antidepressant agomelatine by a tandem allylic chlorination-isomerization process. Also, acts as a reagent in the design, preparation and in vitro evaluation of melatonin derivatives as serotonin N-acetyltransferase inhibitors. Agomelatine Impurity 5
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