3,4-Dimethoxyphenylethylamin
Homoveratrylamine
Grundinformationen
- CAS
120-20-7- Standard-SMILES
COc1ccc(CCN)cc1OC- InChIKey
ANOUKFYBOAKOIR-UHFFFAOYSA-N- Summenformel
- C10H15NO2
- Durchschnittliche Molmasse
- 181,23 g/mol
- Monoisotopische Masse
- 181,11027872
Überblick
3,4-dimethoxyphenylethylamine is an aromatic ether that is the derivative of 2-phenylethylamine with methoxy substituents at the 3- and 4-positions. It is an alkaloid isolated from the Cactaceae family. It has a role as an allergen and a plant metabolite. It is an alkaloid, an aromatic ether and a phenylethylamine. It derives from a hydride of a 2-phenylethylamine.
Namen und Bezeichner
- Bevorzugter Name
- Homoveratrylamine
- IUPAC
- 2-(3,4-dimethoxyphenyl)ethanamine
- Lokaler Name
- 3,4-Dimethoxyphenylethylamin
- Englischer Name
- 3,4-Dimethoxyphenethylamine
- Summenformel
- C10H15NO2
- Molmasse
- 181.23
Namen und Synonyme
3,4-DimethoxyphenethylamineHomoveratrylamine120-20-73,4-Dimethoxyphenylethylamine2-(3,4-Dimethoxyphenyl)ethylamineBenzeneethanamine, 3,4-dimethoxy-DimethoxydopamineDimethylmescalineDMPEA3,4-DimethoxybenzeneethanamineDopamine dimethyl etherDIMPEA
Weitere Namen anzeigen
2-(3,4-Dimethoxyphenyl)ethanamineDiMethoxyphenethylaMineDimethoxyphenylethylamineDopamine Hydrochloride EP Impurity CHVTAHomoveratrile Amine3,4-DIMETHOXY PHENYLETHYLAMINE
O,O-Dimethyldopamine3,4-Di-O-methyldopamine3,4-Dimethoxydopamine2-(3,4-Dimethoxyphenyl)Ethan-1-Amine3,4-Dimethoxyphenylethylamine(base)3,4-Dimethoxy-beta-phenylethylaminebeta-(3,4-Dimethyoxyphenyl)ethylamineNSC 16948
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 44,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 141
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Drugs
DEA NFLIS-Drug Category -> Phenethylamines (Amphetamines) (H)
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
LogP0.77
Solubility24.8 [ug/mL] (The mean of the results at pH 7.4)
Boiling Point163 - 165 °C
Vapor Pressure0.00261 [mmHg]
Physical Description
Colorless liquid with an amine-like odor; [Alfa Aesar MSDS]
Solid
Physikochemische Eigenschaften
- Schmelzpunkt
- 12 · 12-15 °C
- Siedepunkt
- 188 °C15 · 188 °C15 mm Hg(lit.)
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 (99.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 203 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzeneethanamine, 3,4-dimethoxy-
REACH registered substance: 3,4-dimethoxyphenethylamine (EC: 204-376-9)
2-(3,4-Dimethoxyphenyl) ethylamine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; Toxic by inhalation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (99.5%)
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLC50 (rat) > 5,500 mg/m3/4hr
Sicherheitsdaten
- F
- 10
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzeneethanamine, 3,4-dimethoxy-: ACTIVE
Anwendungen
Occurrence3,4-Dimethoxyphenethylamine is a natural product found in Pilosocereus leucocephalus, Vachellia rigidula, and Ototropis elegans with data available.
Verwenden3,4-Dimethoxyphenethylamine is a methylated metabolite of Dopamine (D533780); a potent inhibitor of brain mitochondrial respiration used in Parkinson’s disease studies.
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