1-(4-methoxyphenyl)-N-methylmethanamine

HCID 485407CAS 702-24-9

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Grundinformationen

Standard-SMILES: CNCc1ccc(OC)cc1
InChIKey: AIJFPNKGGAPZFJ-UHFFFAOYSA-N
Summenformel: C9H13NO
Durchschnittliche Molmasse: 151,21 g/mol
Monoisotopische Masse: 151,09971404

Namen und Bezeichner

Bevorzugter Name: 1-(4-methoxyphenyl)-N-methylmethanamine
IUPAC: 1-(4-methoxyphenyl)-N-methylmethanamine
Englischer Name: N-(4-Methoxybenzyl)-N-methylamine
Summenformel: C9H13NO
Molmasse: 151.21

Namen und Synonyme

N-Methyl-4-methoxybenzylamine1-(4-methoxyphenyl)-N-methylmethanamineRefChem:425778662-855-1702-24-94-Methoxy-N-methylbenzylamineN-(4-Methoxybenzyl)-N-methylamineBenzenemethanamine, 4-methoxy-N-methyl-MFCD04115407[(4-methoxyphenyl)methyl](methyl)amine1-(4-methoxyphenyl)-N-methyl-methanamine4-methoxy-N-methylbenzenemethanamine

Weitere Namen anzeigen

)-N-MethyLAKOS BC-0897JACS-702-24-9N-(4-Methoxybenzyl)-4-(Methoxybenzyl)-N-methylamine

2-Naphthyl phosphate calcium salt hydrate(4-Methoxy-benzyl)-methyl-amineN-Methyl-p-methoxybenzylamine(4-methoxyphenyl)-N-methylmethanamineSCHEMBL9831methyl-4-methoxybenzyl amine4-methoxy-N-methylbenzyl amineN-(4-Methoxybenzyl)methylamine

Datenbank-Bezeichner

CAS: 702-24-9
PubChem CID: 485407
DTXSID: DTXSID80220466
ChEMBL: CHEMBL1178119
EC Number: 662-855-1
Nikkaji: J971.867B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 21,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 97,7

Physikochemische Eigenschaften

Schmelzpunkt: 238 °C · 238 °C
Siedepunkt: 88 °C · 88 °C
Dichte: 1.008 g/mL · 1.008 g/mL at 25 °C
Brechungsindex: 20 · n20/D1.529
Flammpunkt: 109 ℃ · 109℃
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
pka: 10.14 · 10.14±0.10(Predicted)
Farbe: Clear Beige
InChI: InChI=1S/C9H13NO/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6,10H,7H2,1-2H3
InChIKey: AIJFPNKGGAPZFJ-UHFFFAOYSA-N
SMILES: C1(CNC)=CC=C(OC)C=C1
CAS Datenbank: 702 · 702-24-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationStatus: Cease Manufacture Update: 04-10-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18136

Hazard Classes and CategoriesAcute Tox. 4 (93.2%)

Sicherheitsdaten

wgk: 1
ridadr: UN 2735 8/PG III
hs_code: 2921490090
risk_code: 36/37/38-34-22
hazard_code: C,Xn
safety_code: 26-36/37/39
hazard_class: 8
packing_group: III

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenN-(4-Methoxybenzyl)-N-methylamine is used in the synthetic preparation of many types of compounds, including the synthesis of trifluoromethyl-sulfonimidamides from sulfinamides as well as the preparation of piperazinylquinazoline amine compounds as toll-like receptor 9 signaling antagonists for treatment of immune disorders.