3,4-Dimethoxyphenylethylamin

Homoveratrylamine

HCID 8421CAS 120-20-7
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Grundinformationen

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-Dimethoxyphenethylamine120-20-7Homoveratrylamine3,4-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
120-20-7
PubChem CID
8421
DTXSID
DTXSID8059506
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

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Drugs · 2 Einträge

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]

Physikochemische Eigenschaften

Schmelzpunkt
12 · 12-15 °C
Siedepunkt
188 °C15 · 188 °C15 mm Hg(lit.)
Dichte
1.074 g/mL · 1.074 g/mL at 25 °C(lit.)
Dampfdruck
0.348 · 0.348-0.348Pa at 25℃
Brechungsindex
20 · n20/D 1.546(lit.)
Flammpunkt
230 °F · >230 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 3 Einträge

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

Sicherheitsdaten

F
10
wgk
3
tsca
TSCA listed
ridadr
UN 2735
hs_code
29222900
RTECS-Nr.
SH2300000

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.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 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.

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