HCID91444

2-Thienylalanine

2-amino-3-thiophen-2-ylpropanoic acid

C7H9NO2S171.22 g/molCAS 139-86-6

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IDENTITY

结构与身份

标准SMILES: NC(Cc1cccs1)C(=O)O
InChIKey: WTOFYLAWDLQMBZ-UHFFFAOYSA-N
分子式: C7H9NO2S
平均分子量: 171.22 g/mol
单同位素质量: 171.0353997

COMPUTED

结构计算性质

已同步

XLogP: -1.7
极性表面积: 91.6 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 3
重原子: 11
形式电荷: 0
复杂度: 151

PROPERTIES

实验与物化性质

来源：PubChem

Physical Description

Faintly beige powder; [Sigma-Aldrich MSDS]

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 38 reports by companies from 1 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

Hazards Summary

An irritant; [Sigma-Aldrich MSDS]

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 78 条

2021-58-12-Thiophenealanine2-ThienylalanineNSC 7546ZK0RDK1XBbeta-2-Thienyl-DL-alanineX 151EINECS 205-378-2alpha-Amino-2-thiophenepropanoic acidNSC-754EINECS 217-967-12-Thiophenepropionic acid, alpha-amino-DTXSID10862813DL-3-(2-THIENYL)ALANINE.BETA.-2-THIENYL-DL-ALANINEbeta2dlThienylalanine3(2Thienyl)DLalanineRefChem:483738DTXCID20218509alpha-aminothiophene propanoic acid

REACTIONS

参与反应

21 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05734057

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

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uspto-grants-1999_01 · 10.6084/m9.figshare.5104873.v1 · US05859002

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uspto-grants-1998_11 · 10.6084/m9.figshare.5104873.v1 · US05834467

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uspto-grants-1998_11 · 10.6084/m9.figshare.5104873.v1 · US05837710

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uspto-grants-1996_01 · 10.6084/m9.figshare.5104873.v1 · US05480887

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uspto-grants-1996_01 · 10.6084/m9.figshare.5104873.v1 · US05484926

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uspto-grants-1998_10 · 10.6084/m9.figshare.5104873.v1 · US05824688

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