4-Ethoxy-3-methoxyphenethylamine 分子结构式
HCID142076

4-Ethoxy-3-methoxyphenethylamine

2-(4-ethoxy-3-methoxyphenyl)ethanamine

C11H17NO2195.26 g/molCAS 36377-59-0

IDENTITY

结构与身份

标准SMILES
CCOc1ccc(CCN)cc1OC
InChIKey
AFMUTJRFLRYILG-UHFFFAOYSA-N
分子式
C11H17NO2
平均分子量
195.26 g/mol
单同位素质量
195.12592879

COMPUTED

结构计算性质

已同步
XLogP
1.1
极性表面积
44.5 Ų
氢键供体
1
氢键受体
3
可旋转键
5
重原子
14
形式电荷
0
复杂度
152

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (50%): 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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

Acute Tox. 4 (50%);Skin Irrit. 2 (100%);Eye Dam. 1 (50%);Eye Irrit. 2 (50%);STOT SE 3 (100%)

ALIASES

名称与别名

共 31 条
4-Ethoxy-3-methoxyphenethylamine4-Ethoxy-3-methoxybenzeneethanamineBenzeneethanamine, 4-ethoxy-3-methoxy-MEPEAP4MS942R6J3-Methoxy-4-ethoxyphenethylamineDTXSID40189904PHENETHYLAMINE, 4-ETHOXY-3-METHOXY-RefChem:98829DTXCID60112395AFMUTJRFLRYILG-UHFFFAOYSA-N36377-59-02-(4-Ethoxy-3-methoxyphenyl)ethanamine2-(4-ethoxy-3-methoxyphenyl)ethan-1-amineBenzeneethanamine,4-ethoxy-3-methoxy-MFCD00079756UNII-P4MS942R6JSCHEMBL1251843SCHEMBL3938308SCHEMBL29543507

REACTIONS

参与反应

10
HRID 111664 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看
HRID 820914 反应方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看
HRID 1634558 反应方程式

uspto-grants-2003_01 · 10.6084/m9.figshare.5104873.v1 · US06506762B1

查看
HRID 1634570 反应方程式

uspto-grants-2003_01 · 10.6084/m9.figshare.5104873.v1 · US06506762B1

查看
HRID 1792269 反应方程式

uspto-grants-2006_07 · 10.6084/m9.figshare.5104873.v1 · US07074929B2

查看
HRID 1792287 反应方程式

uspto-grants-2006_07 · 10.6084/m9.figshare.5104873.v1 · US07074929B2

查看
HRID 1866495 反应方程式

uspto-grants-2009_12 · 10.6084/m9.figshare.5104873.v1 · US07629358B2

查看
HRID 2121599 反应方程式

uspto-grants-2004_02 · 10.6084/m9.figshare.5104873.v1 · US06696445B2

查看