HCID136227

N-(trifluoroacetyl)aminoacetic acid

2-[(2,2,2-trifluoroacetyl)amino]acetic acid

C4H4F3NO3171.07 g/molCAS 383-70-0

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IDENTITY

结构与身份

标准SMILES: O=C(O)CNC(=O)C(F)(F)F
InChIKey: IFAXXCBMQJNCCF-UHFFFAOYSA-N
分子式: C4H4F3NO3
平均分子量: 171.07 g/mol
单同位素质量: 171.01432748

COMPUTED

结构计算性质

已同步

XLogP: 0.3
极性表面积: 66.4 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 2
重原子: 11
形式电荷: 0
复杂度: 176

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): 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, P319, P321, P330, P332+P317, P337+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 Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 41 条

383-70-0TFA-GLY-OHN-(Trifluoroacetyl)glycineN-(Trifluoroacetyl)aminoacetic acid2-[(2,2,2-trifluoroacetyl)amino]acetic acidCHEBI:145713DTXSID30191672NSC 306126(2,2,2-TRIFLUOROACETAMIDO)ACETIC ACID2-((2,2,2-trifluoroacetyl)amino)acetic acidRefChem:162440DTXCID70114163IFAXXCBMQJNCCF-UHFFFAOYSA-N2-(2,2,2-Trifluoroacetamido)acetic acidN-TrifluoroacetylglycineMFCD00029784N-Trifluoroacetyl glycine(2,2,2-Trifluoroacetyl)glycineTrifluoroacetylglycine[(Trifluoroacetyl)amino]acetic acid

REACTIONS

参与反应

12 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098196B1

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440988B2

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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 (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2001_02 · 10.6084/m9.figshare.5104873.v1 · US06191150B1

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uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09175041B2

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uspto-grants-2009_01 · 10.6084/m9.figshare.5104873.v1 · US07476661B2

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