1-(4-Phenoxyphenyl)ethan-1-amine 分子结构式
HCID59207

1-(4-Phenoxyphenyl)ethan-1-amine

1-(4-phenoxyphenyl)ethanamine

C14H15NO213.27 g/molCAS 102077-19-0

IDENTITY

结构与身份

标准SMILES
CC(N)c1ccc(Oc2ccccc2)cc1
InChIKey
WSQOGHJCBFRHSI-UHFFFAOYSA-N
分子式
C14H15NO
平均分子量
213.27 g/mol
单同位素质量
213.1153641

COMPUTED

结构计算性质

已同步
XLogP
2.7
极性表面积
35.3 Ų
氢键供体
1
氢键受体
2
可旋转键
3
重原子
16
形式电荷
0
复杂度
193

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

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

ALIASES

名称与别名

共 30 条
1-(4-phenoxyphenyl)ethan-1-amine102077-19-0DTXSID10907076RefChem:425995DTXCID701336168890-531-11-(4-phenoxyphenyl)ethanamineBenzenemethanamine, .alpha.-methyl-4-phenoxy-MFCD01732464BRN 2212672alpha-Methyl-p-phenoxybenzylamineBENZYLAMINE, alpha-METHYL-p-PHENOXY-Benzenemethanamine, alpha-methyl-4-phenoxy-SCHEMBL5063491-(4-phenoxyphenyl)ethylamine1-(4-Phenoxy-phenyl)-ethylamineWSQOGHJCBFRHSI-UHFFFAOYSA-NCEA07719(R)-1-(4-Phenoxyphenyl)ethanamineMFCD06762011

REACTIONS

参与反应

6
HRID 828949 反应方程式

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

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HRID 911319 反应方程式

uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08022062B2

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HRID 2041207 反应方程式

uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08580780B2

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HRID 2134051 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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HRID 2427560 反应方程式

uspto-grants-2011_06 · 10.6084/m9.figshare.5104873.v1 · US07968570B2

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HRID 2427561 反应方程式

uspto-grants-2011_06 · 10.6084/m9.figshare.5104873.v1 · US07968570B2

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