Homoveratrylamine
Grundinformationen
- CAS
1162658-07-2- Standard-SMILES
COc1ccc(CCN)cc1OC- InChIKey
ANOUKFYBOAKOIR-UHFFFAOYSA-N- Summenformel
- C10H15NO2
- Durchschnittliche Molmasse
- 181,23 g/mol
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
- Englischer Name
- 3,4-Di(methoxy-d3)benzeneethanamine
- Summenformel
- C10H15NO2
- Molmasse
- 181.24
Namen und Synonyme
3,4-Dimethoxyphenethylamine120-20-7Homoveratrylamine3,4-Dimethoxyphenylethylamine2-(3,4-Dimethoxyphenyl)ethylamineBenzeneethanamine, 3,4-dimethoxy-DimethoxydopamineDimethylmescalineDMPEA3,4-DimethoxybenzeneethanamineDopamine dimethyl etherDIMPEA
Weitere Namen anzeigen
3,4-Di(methoxy-d3)benzeneethanamine"2-(3,4-d6-dimethoxyphenyl)ethanamine"
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
1162658-07-2- ChEMBL
CHEMBL26019- ChEBI
CHEBI:136995- UNII
- IQF9T435OP
- EC Number
- 204-376-9
- Nikkaji
- J28.381I
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
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-
Status: Active Update: 26-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22467
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
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzeneethanamine, 3,4-dimethoxy-: ACTIVE
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