HRID334247
uspto-grants-2014_11
作为反应物
uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08883806B2
查看IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)C(C#N)CC(OCC)OCC
- InChIKey
- AHKACZDKUNMFBD-UHFFFAOYSA-N
- 分子式
- C11H19NO4
- 平均分子量
- 229.27 g/mol
- 单同位素质量
- 229.13140809
COMPUTED
结构计算性质
- XLogP
- 1.4
- 极性表面积
- 68.6 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 9
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 240
GHS
GHS分类
GHS Classification
Warning
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；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, P317, 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.
ALIASES
名称与别名
Ethyl 2-cyano-4,4-diethoxybutyrate52133-67-2DTXSID90399970RefChem:342764DTXCID10350826ethyl 2-cyano-4,4-diethoxybutanoateEthyl 2,2-diethoxyethylcyanoacetateMFCD02094250BUTANOIC ACID, 2-CYANO-4,4-DIETHOXY-, ETHYL ESTEREthyl 2-cyano-44-diethoxybutyrateEthyl 2-cyano-4,4-diethoxy-butanoate2-Cyano-4,4-diethoxybutyric Acid Ethyl EsterETHYL-2-CYANO-4,4-DIETHOXYBUTANOIDE2-cyano-4,4-diethoxy-butyric acid ethyl esterSCHEMBL1249423PH566ZFZ3AHKACZDKUNMFBD-UHFFFAOYSA-NCS-M3533AB2838ethyl-2-cyano-4,4-diethoxybutanoate
REACTIONS
参与反应
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作为反应物
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作为反应物
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作为反应物
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作为反应物
uspto-grants-2005_06 · 10.6084/m9.figshare.5104873.v1 · US06908930B2
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作为反应物
uspto-grants-1998_05 · 10.6084/m9.figshare.5104873.v1 · US05753664
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