uspto-grants-2004_06 · 10.6084/m9.figshare.5104873.v1 · US06743926B2
查看IDENTITY
结构与身份
- 标准SMILES
- C=CC(=O)N(C)OC
- InChIKey
- IAAVEAHABZTBNK-UHFFFAOYSA-N
- 分子式
- C5H9NO2
- 平均分子量
- 115.13 g/mol
- 单同位素质量
- 115.06332853
COMPUTED
结构计算性质
- XLogP
- 0.4
- 极性表面积
- 29.5 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 2
- 重原子
- 8
- 形式电荷
- 0
- 复杂度
- 101
GHS
GHS分类
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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
Flam. Liq. 3 (100%);Acute Tox. 4 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Skin Sens. 1 (100%);Eye Dam. 1 (100%);Acute Tox. 4 (100%);STOT SE 3 (100%)
ALIASES
名称与别名
REACTIONS
参与反应
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