结构:CC(N)c1ccc(Oc2ccccc2)cc1
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

30
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

4
HRID828949

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

作为生成物、反应物
HRID 828949 方程式

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

查看条件与参与物
HRID2134051

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

作为生成物、反应物
HRID 2134051 方程式

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

查看条件与参与物