4-(((4-Methoxyphenyl)amino)methyl)-N,N-dimethylaniline

HCID 855075

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Grundinformationen

CAS: 13159-99-4
Standard-SMILES: COc1ccc(NCc2ccc(N(C)C)cc2)cc1
InChIKey: RDKKBVHEHXPZQH-UHFFFAOYSA-N
Summenformel: C16H20N2O
Durchschnittliche Molmasse: 256,34 g/mol
Monoisotopische Masse: 256,15756327

Namen und Bezeichner

Bevorzugter Name: 4-(((4-Methoxyphenyl)amino)methyl)-N,N-dimethylaniline
IUPAC: 4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
Englischer Name: N-[4-(Dimethylamino)benzyl]-N-(4-methoxyphenyl)amine
Summenformel: C16H20N2O
Molmasse: 256.34

Namen und Synonyme

13159-99-44-(((4-Methoxyphenyl)amino)methyl)-N,N-dimethylanilineN-{[4-(dimethylamino)phenyl]methyl}-4-methoxyanilineN-[4-(dimethylamino)benzyl]-N-(4-methoxyphenyl)amine4-[(4-methoxyanilino)methyl]-N,N-dimethylanilineCHEMBL35942684-{[(4-methoxyphenyl)amino]methyl}-N,N-dimethylanilineBenzenemethanamine, 4-(dimethylamino)-N-(4-methoxyphenyl)-4-[[(4-Methoxyphenyl)amino]methyl]-N,N-dimethylanilineOprea1_016005SCHEMBL856452DTXSID40357626

Weitere Namen anzeigen

N-[(4-diMethylaMinophenyl)Methyl]-4-Methoxy-anilineN4,N4-DIMETHYL-N-ALPHA-(PARA-METHOXYPHENYL)-ALPHA,4-TOLUENEDIAMINE

RDKKBVHEHXPZQH-UHFFFAOYSA-NBDBM50498373MFCD00086826AKOS000241600SB81936SY144108CS-0224163EN300-11804

Datenbank-Bezeichner

CAS: 13159-99-4
PubChem CID: 855075
DTXSID: DTXSID40357626
ChEMBL: CHEMBL3594268
EC Number: 634-348-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 24,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 19
Formalladung: 0
Komplexität: 241

Physikochemische Eigenschaften

storage temp.: 2 · 2-8°C, protect from light

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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.