HCID95254

1-Naphthalenepropionic acid

3-naphthalen-1-ylpropanoic acid

C13H12O2200.23 g/molCAS 3243-42-3

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IDENTITY

结构与身份

标准SMILES: O=C(O)CCc1cccc2ccccc12
InChIKey: PRLKVVMRQFFIOQ-UHFFFAOYSA-N
分子式: C13H12O2
平均分子量: 200.23 g/mol
单同位素质量: 200.08372962

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 3
重原子: 15
形式电荷: 0
复杂度: 225

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (14.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (85.7%): 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Dam. 1 (14.3%)；Eye Irrit. 2A (85.7%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 49 条

3243-42-31-Naphthalenepropionic acidDTXSID60186177RefChem:76473DTXCID701086683-(1-Naphthyl)propionic acid3-(naphthalen-1-yl)propanoic acid1-Naphthalenepropanoic acid3-(1-Naphthyl)propanoic acid3-(1-Naphthyl)-propionic acidMFCD000330583-naphthalen-1-ylpropanoic acid3-(naphth-1-yl)propanoic acid3-naphthalen-1-yl-propionic acid3-naphthylpropanoic acidalpha-Naphthylpropionatenaphthalenepropanoic acidSCHEMBL297764SCHEMBL298311F9995-0955

REACTIONS

参与反应

7 条

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

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uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05521192

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uspto-grants-2001_01 · 10.6084/m9.figshare.5104873.v1 · US06180635B2

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uspto-grants-1996_12 · 10.6084/m9.figshare.5104873.v1 · US05587379

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uspto-grants-2002_01 · 10.6084/m9.figshare.5104873.v1 · US06342502B1

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uspto-grants-2006_01 · 10.6084/m9.figshare.5104873.v1 · US06984644B2

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uspto-grants-1997_05 · 10.6084/m9.figshare.5104873.v1 · US05627189

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