3-Methoxy-N-methylbenzylamine

HCID 5152225CAS 41789-95-1

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Grundinformationen

Standard-SMILES: CNCc1cccc(OC)c1
InChIKey: FIFKRPFWLHBMHL-UHFFFAOYSA-N
Summenformel: C9H13NO
Durchschnittliche Molmasse: 151,21 g/mol
Monoisotopische Masse: 151,09971404

Namen und Bezeichner

Bevorzugter Name: 3-Methoxy-N-methylbenzylamine
IUPAC: 1-(3-methoxyphenyl)-N-methylmethanamine
Englischer Name: 3-Methoxy-N-methylbenzylamine 97
Summenformel: C9H13NO
Molmasse: 151.21

Namen und Synonyme

41789-95-13-Methoxy-N-methylbenzylamineDTXSID90408899RefChem:280480DTXCID90359751627-600-01-(3-methoxyphenyl)-N-methylmethanamineN-methyl-3-methoxybenzylamineMFCD04618244[(3-methoxyphenyl)methyl](methyl)amine3-METHOXY-N-METHYLBENZYLAMINE 97(3-Methoxyphenyl)-N-MethylMethanaMine

Weitere Namen anzeigen

Diclofensine Impurity 1(3-methoxybenzyl)methylamineN-(3-METHOXYBENZYL)-N-METHYLAMINE3-Methoxy-N-methylbenzylamine 973-Methoxy-1-(MethylaMinoMethyl)benzene

1-(3-methoxyphenyl)-N-methylmethanamine hydrochloride[(3-methoxyphenyl)methyl]methylamine1-(3-methoxyphenyl)-N-methyl-methanamine(3-Methoxybenzyl)methylamine; 1-(3-Methoxyphenyl)-N-methylmethanamine; 3-Methoxy-1-(methylaminomethyl)benzene; N-(3-Methoxybenzyl)-N-methylamine; N-Methyl-1-[3-(methoxy)phenyl]methanamine; N-Methyl-3-methoxybenzylamine3-METHOXY-N-METHYLBESCHEMBL297410N-methyl-3-methoxy-benzylamineSCHEMBL2076794

Datenbank-Bezeichner

CAS: 41789-95-1
PubChem CID: 5152225
DTXSID: DTXSID90408899
EC Number: 627-600-0
Nikkaji: J2.696.461J

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: 106

Physikochemische Eigenschaften

Siedepunkt: 130 · 130-133 °C28 mm Hg(lit.)
Dichte: 1.014 g/mL · 1.014 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.5290(lit.)
Flammpunkt: 212 °F · 212 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in chloroform, dichloromethane, ethyl acetate and methanol.
pka: 9.65 · 9.65±0.10(Predicted)
Aggregatzustand: Liquid
InChI: 1S/C9H13NO/c1-10-7-8-4-3-5-9(6-8)11-2/h3-6,10H,7H2,1-2H3
InChIKey: FIFKRPFWLHBMHL-UHFFFAOYSA-N
SMILES: CNCc1cccc(OC)c1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.