3,4-Dimethoxy-N-methylphenethylamin

N-Methylhomoveratrylamine

HCID 77039CAS 3490-06-0

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Grundinformationen

Standard-SMILES: CNCCc1ccc(OC)c(OC)c1
InChIKey: HNJWKRMESUMDQE-UHFFFAOYSA-N
Summenformel: C11H17NO2
Durchschnittliche Molmasse: 195,26 g/mol
Monoisotopische Masse: 195,12592878

Überblick

N-methylhomoveratrylamine has been reported in Echinocereus cinerascens, Ariocarpus scaphirostris, and other organisms with data available.

Namen und Bezeichner

Bevorzugter Name: N-Methylhomoveratrylamine
IUPAC: 2-(3,4-dimethoxyphenyl)-N-methylethanamine
Lokaler Name: 3,4-Dimethoxy-N-methylphenethylamin
Englischer Name: N-Methylhomoveratrylamine
Summenformel: C11H17NO2
Molmasse: 195.26

Namen und Synonyme

N-Methylhomoveratrylamine3490-06-02-(3,4-dimethoxyphenyl)-N-methylethanamineUNII-5H5ZH95EHGBenzeneethanamine, 3,4-dimethoxy-N-methyl-5H5ZH95EHGEINECS 222-483-9NSC 187772NSC-187772DTXSID70188460EC 222-483-9N-Methyl-2-(3,4-dimethoxyphenyl)ethylamine

Weitere Namen anzeigen

2-(3,4-dimethoxyphenyl)-N-methylethan-1-amineAURORA KA-7753AKOS BBS-00006509Verapamil Impurity BVerapamil EP Impurity B3,4-DIMETHOXY-N-METHYLPHENETHYLAMINEN-Methyl-3,4-dimethoxyphenethylamine3,4-DiMethoxy-β-phenethylMethylaMine

N-(3,4-DIMETHOXYPHENETHYL)-N-METHYLAMINEVERAPAMIL HYDROCHLORIDE IMPURITY B [EP IMPURITY]VERAPAMIL HYDROCHLORIDE IMPURITY B (EP IMPURITY)RefChem:163837DTXCID00110951222-483-9HNJWKRMESUMDQE-UHFFFAOYSA-N2-(3,4-Dimethoxyphenyl)-N-methylethylamine

Datenbank-Bezeichner

CAS: 3490-06-0
PubChem CID: 77039
DTXSID: DTXSID70188460
ChEMBL: CHEMBL1404381
UNII: 5H5ZH95EHG
EC Number: 222-483-9
Nikkaji: J216.153B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 30,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 14
Formalladung: 0
Komplexität: 152

Experimentelle und physikochemische Eigenschaften

Solubility>29.3 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Siedepunkt: 160 · 160-161 °C13 mm Hg(lit.)
Dichte: 1.059 g/mL · 1.059 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.533(lit.)
Flammpunkt: 230 °F · >230 °F
Löslichkeit: Chloroform (Soluble), Methanol (Soluble)
pka: 10.16 · 10.16±0.10(Predicted)
Aggregatzustand: Oil
Farbe: Colourless to Pale Yellow
LogP: 1.304 · 1.304
CAS Datenbank: 3490 · 3490-06-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (59.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 174 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 11-06-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6861

Hazard Classes and CategoriesAcute Tox. 4 (59.8%)

Sicherheitsdaten

wgk: 3
ridadr: 1760
hs_code: 29222990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
hazard_class: 8
packing_group: III

Chemie und Industrie

Anwendungen

VerwendenFundamental synthetic intermediate, N-Methylhomoveratrylamine can be used for the preparation of a variety of biologically active compounds.