HCID46838908

AP-24592

4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline

C13H18F3N3273.3 g/molCAS 694499-26-8

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IDENTITY

结构与身份

标准SMILES: CN1CCN(Cc2ccc(N)cc2C(F)(F)F)CC1
InChIKey: ZMWAZMYBMAAMAW-UHFFFAOYSA-N
分子式: C13H18F3N3
平均分子量: 273.3 g/mol
单同位素质量: 273.14528207

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 32.5 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 2
重原子: 19
形式电荷: 0
复杂度: 287

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 41 条

694499-26-8AP24592KFW56NE7FTBenzenamine, 4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-AP-245924-((4-Methylpiperazin-1-yl)methyl)-3-trifluoromethylphenylamineBenzenamine, 4-((4-methyl-1-piperazinyl)methyl)-3-(trifluoromethyl)-RefChem:1996104-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)anilineMFCD09909924CHEMBL44835154-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)Benzenamine4-(4-Methylpiperazin-1-ylmethyl)-3-trifluoromethylanilinePonatinib Impurity 13UNII-KFW56NE7FTSCHEMBL273351orb3169863SCHEMBL29493475

REACTIONS

参与反应

37 条

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

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

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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

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uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08481539B2

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08859553B2

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08859553B2

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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08058276B2

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