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

HCID 855075

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基本情報

CAS: 13159-99-4
標準SMILES: COc1ccc(NCc2ccc(N(C)C)cc2)cc1
InChIKey: RDKKBVHEHXPZQH-UHFFFAOYSA-N
分子式: C16H20N2O
平均分子量: 256.34 g/mol
単同位体質量: 256.15756327

名称と識別子

優先名称: 4-(((4-Methoxyphenyl)amino)methyl)-N,N-dimethylaniline
IUPAC: 4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
英語名: N-[4-(Dimethylamino)benzyl]-N-(4-methoxyphenyl)amine
分子式: C16H20N2O
分子量: 256.34

名称と別名

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

名称をさらに表示

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

RDKKBVHEHXPZQH-UHFFFAOYSA-NBDBM50498373MFCD00086826AKOS000241600SB81936SY144108CS-0224163EN300-11804

データベース識別子

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

物性

構造計算による物性

XLogP: 3.5
極性表面積: 24.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 19
形式電荷: 0
複雑度: 241

物理化学的性質

貯蔵温度: 2 · 2-8°C, protect from light

安全と法規制

GHS分類

GHS Classification · 5 件

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.