HCID10511017

alpha-Methyl-3-pyridineacetic acid

2-pyridin-3-ylpropanoic acid

C8H9NO2151.16 g/molCAS 90005-62-2

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IDENTITY

结构与身份

标准 SMILES: CC(C(=O)O)c1cccnc1
InChIKey: RVSGAPGURIPIFA-UHFFFAOYSA-N
分子式: C8H9NO2
平均分子量: 151.16 g/mol
单同位素质量: 151.06332853

COMPUTED

结构计算性质

已同步

XLogP: 0.9
极性表面积: 50.2 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 11
形式电荷: 0
复杂度: 147

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 28 条

2-(pyridin-3-yl)propanoic acid90005-62-2alpha-Methyl-3-pyridineacetic acidDTXSID301305296RefChem:555837DTXCID401735286835-692-02-pyridin-3-ylpropanoic Acid3-Pyridineacetic acid, a-methyl-MFCD145850272-pyridin-3-yl-propionic acid3-pyridylpropanoic acid2-(3-pyridyl)propanoic acidSCHEMBL5750452-(pyridin-3-yl)propanoicacidSCHEMBL1515205SCHEMBL6259017|A-Methyl-3-pyridineacetic acidI+/--Methyl-3-pyridineacetic acidQDA00562

REACTIONS