4-[2-(ジエチルアミノ)エトキシ]ベンズアルデヒド

4-(2-(Diethylamino)-Ethoxy)-Benzaldehyde

HCID 411674

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 15182-94-2
標準SMILES: CCN(CC)CCOc1ccc(C=O)cc1
InChIKey: NYCUSYCCGKZKBM-UHFFFAOYSA-N
分子式: C13H19NO2
平均分子量: 221.29 g/mol
単同位体質量: 221.14157885

名称と識別子

優先名称: 4-(2-(Diethylamino)-Ethoxy)-Benzaldehyde
IUPAC: 4-[2-(diethylamino)ethoxy]benzaldehyde
現地名: 4-[2-(ジエチルアミノ)エトキシ]ベンズアルデヒド
英語名: 4-(2-(Diethylamino)-ethoxy)-benzaldehyde
分子式: C13H19NO2
分子量: 221.3

名称と別名

15182-94-24-[2-(Diethylamino)ethoxy]benzaldehyde4-(2-(Diethylamino)-Ethoxy)-Benzaldehyde4-(2-(diethylamino)ethoxy)benzaldehydeDTXSID30328547RefChem:512007DTXCID00279653654-113-0Benzaldehyde,4-[2-(diethylamino)ethoxy]-4-(2-Diethylamino-ethoxy)-benzaldehydestarbld0000283SCHEMBL870305

名称をさらに表示

4-[2-(ジエチルアミノ)エトキシ]ベンズアルデヒド4-(diethyl-amino-ethoxy-)-benz-aldehydeBenzaldehyde, 4-[2-(diethylamino)ethoxy]-

4-diethylaminoethoxybenzaldehydeSCHEMBL8995210NYCUSYCCGKZKBM-UHFFFAOYSA-N4-(diethylamino)ethoxy benzaldehydeQAA18294MFCD000652864-(2-diethylamino-ethoxy)benzaldehyde4-(2-diethylaminoethoxy)-benzaldehyde

データベース識別子

CAS: 15182-94-2
PubChem CID: 411674
DTXSID: DTXSID30328547
EC Number: 654-113-0
Nikkaji: J307.664D

物性

構造計算による物性

XLogP: 2.1
極性表面積: 29.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 7
重原子数: 16
形式電荷: 0
複雑度: 184

物理化学的性質

沸点: 168 °C · 168 °C(Press: 6 Torr)
比重(密度): 1.029 · 1.029±0.06 g/cm3(Predicted)
酸解離定数(Pka): 9.5 · 9.50±0.25(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 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.