4-(2-(Diethylamino)-Ethoxy)-Benzaldehyde 分子结构式
HCID411674

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

4-[2-(diethylamino)ethoxy]benzaldehyde

C13H19NO2221.29 g/molCAS 15182-94-2

IDENTITY

结构与身份

标准SMILES
CCN(CC)CCOc1ccc(C=O)cc1
InChIKey
NYCUSYCCGKZKBM-UHFFFAOYSA-N
分子式
C13H19NO2
平均分子量
221.29 g/mol
单同位素质量
221.14157885

COMPUTED

结构计算性质

已同步
XLogP
2.1
极性表面积
29.5 Ų
氢键供体
0
氢键受体
3
可旋转键
7
重原子
16
形式电荷
0
复杂度
184

GHS

GHS分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Dam. 1 (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 24 条
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)-benzaldehydestarbld0000283SCHEMBL8703054-diethylaminoethoxybenzaldehydeSCHEMBL8995210NYCUSYCCGKZKBM-UHFFFAOYSA-N4-(diethylamino)ethoxy benzaldehydeQAA18294MFCD000652864-(2-diethylamino-ethoxy)benzaldehyde4-(2-diethylaminoethoxy)-benzaldehyde

REACTIONS

参与反应

17
HRID 215753 反应方程式

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193184B2

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HRID 215754 反应方程式

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193184B2

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HRID 298163 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 308222 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 353596 反应方程式

uspto-grants-2004_06 · 10.6084/m9.figshare.5104873.v1 · US06753429B2

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HRID 353600 反应方程式

uspto-grants-2004_06 · 10.6084/m9.figshare.5104873.v1 · US06753429B2

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HRID 368304 反应方程式

uspto-grants-2000_10 · 10.6084/m9.figshare.5104873.v1 · US06133303

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HRID 506578 反应方程式

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07786113B2

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