p-ビニルベンジルジメチルアミン

Benzenemethanamine, ar-ethenyl-N,N-dimethyl-

HCID 519956CAS 2245-52-5

部分構造検索類似構造を探す

基本情報

標準SMILES: C=Cc1ccc(CN(C)C)cc1
InChIKey: XQBHAZDVLGNSOJ-UHFFFAOYSA-N
分子式: C11H15N
平均分子量: 161.24 g/mol
単同位体質量: 161.12044948

名称と識別子

優先名称: Benzenemethanamine, ar-ethenyl-N,N-dimethyl-
IUPAC: 1-(4-ethenylphenyl)-N,N-dimethylmethanamine
現地名: p-ビニルベンジルジメチルアミン
英語名: (Dimethylaminomethyl)styrene
分子式: C11H15N
分子量: 161.24

名称と別名

N-(4-Vinylbenzyl)-N,N-dimethylamineBenzenemethanamine, ar-ethenyl-N,N-dimethyl-N-(Vinylbenzyl)dimethylamineRefChem:563315EINECS 256-875-6696-066-92245-52-5N,N-dimethyl-1-(4-vinylphenyl)methanamineBenzenemethanamine, 4-ethenyl-N,N-dimethyl-(Dimethylaminomethyl)styreneBenzylamine, N,N-dimethyl-p-vinyl-50976-17-5

名称をさらに表示

4-ビニルベンジルジメチルアミン4-[(ジメチルアミノ)メチル]スチレンN,N-ジメチル-4-ビニルベンジルアミン4-エテニル-N,N-ジメチルベンゼンメタンアミン[(4-エテニルフェニル)メチル]ジメチルアミン(4-ビニルベンジル)ジメチルアミンp-ビニルベンジルジメチルアミン4-ビニル-1-[(ジメチルアミノ)メチル]ベンゼンジメチル(4-ビニルベンジル)アミンN,N-ジ(メチル)-4-ビニルベンジルアミン4-(ジメチルアミノメチル)スチレンN,N-ジメチル-4-ビニルベンゼンメタンアミンＮ-(4-ビニルベンジル)-Ｎ,Ｎ-ジメチルアミンVINYLBENZYLDIMETHYLAMINEN-(4-Vinylbenzyl)-N,N-dimethylaminN-(4-VINYLBENZYL)-N,N-DIMETHYL AMINE(4-ethenylphenyl)methyl-dimethylazanium(4-ethenylphenyl)-N,N-dimethylmethanaminium

1-(4-ethenylphenyl)-N,N-dimethylmethanamineMFCD00078270[(4-ETHENYLPHENYL)METHYL]DIMETHYLAMINEN,N-Dimethyl-4'-vinylbenzylaminep-dimethylaminomethylstyrenen,n-dimethylvinylbenzylamineSCHEMBL465236N,N-Dimethyl-4-vinylbenzylamine

データベース識別子

CAS: 2245-52-5、50976-17-5
PubChem CID: 519956
DTXSID: DTXSID90427045
EC Number: 696-066-9
Nikkaji: J798.764A

物性

構造計算による物性

XLogP: 2.5
極性表面積: 3.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 132

物理化学的性質

沸点: 217.3 ℃ · 217.3℃
比重(密度): 0.937 · 0.937
屈折率: 1.538 · 1.5380
闪点: 77.3 ℃ · 77.3℃
貯蔵温度: Refrigerator (+4°C)
酸解離定数(Pka): 8.82 · 8.82±0.28(Predicted)
外見: 液体
色: クリアイエロー～ブラウン
InChI: InChI=1S/C11H15N/c1-4-10-5-7-11(8-6-10)9-12(2)3/h4-8H,1,9H2,2-3H3
InChIKey: XQBHAZDVLGNSOJ-UHFFFAOYSA-N
SMILES: C1(CN(C)C)=CC=C(C=C)C=C1

化学的性質

化学的特性clear yellow to brown liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.