uspto-grants-1996_06 · 10.6084/m9.figshare.5104873.v1 · US05525723
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IDENTITY
结构与身份
- 标准SMILES
- N[C@@H](Cc1ccsc1)C(=O)O
- InChIKey
- VOIZSAUUYAGTMS-LURJTMIESA-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
- XLogP
- -1.7
- 极性表面积
- 91.6 Ų
- 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
GHS
GHS分类
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
HAZARDS
危害信息
Hazard Classes and Categories
Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
ALIASES
名称与别名
3685-51-63-(3-thienyl)-l-alanineA8M2770HBCbeta-3-Thienyl-L-alanineUNII-A8M2770HBC.BETA.-3-THIENYL-L-ALANINE(alphaS)-alpha-Amino-3-thiophenepropanoic acid3-Thiophenepropanoic acid, alpha-amino-, (alphaS)-(.ALPHA.S)-.ALPHA.-AMINO-3-THIOPHENEPROPANOIC ACID3-THIOPHENEPROPANOIC ACID, .ALPHA.-AMINO-, (.ALPHA.S)-RefChem:196534L-3-Thienylalanine(S)-2-Amino-3-(thiophen-3-yl)propanoic acidMFCD00038645(2S)-2-amino-3-thiophen-3-ylpropanoic acidL-3-(3-Thienyl)alanine(2S)-2-amino-3-(thiophen-3-yl)propanoic acidss-3-ThienylalaninH-3-Thi-OHH-Ala(3-Thienyl)-OH
REACTIONS
