uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07420055B2
查看IDENTITY
结构与身份
- 标准SMILES
- C[C@@H]1CNC[C@H](C)O1
- InChIKey
- HNVIQLPOGUDBSU-OLQVQODUSA-N
- 分子式
- C6H13NO
- 平均分子量
- 115.17 g/mol
- 单同位素质量
- 115.09971404
COMPUTED
结构计算性质
- XLogP
- 0.3
- 极性表面积
- 21.3 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 0
- 重原子
- 8
- 形式电荷
- 0
- 复杂度
- 66
GHS
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (1 of 174) of reports.
Danger
H226 (98.9%): Flammable liquid and vapor [Warning Flammable liquids];H302 (94.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (97.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (94.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (97.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 174 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 174 reports by companies.;There are 12 notifications provided by 173 of 174 reports by companies with hazard statement code(s).;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
Regulatory Information
Status: Active Update: 28-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12344
Hazard Classes and Categories
Flam. Liq. 3 (98.9%);Acute Tox. 4 (94.3%);Acute Tox. 4 (97.7%);Skin Corr. 1B (94.8%);Eye Dam. 1 (97.1%)
REGULATORY
法规信息
Regulatory Information
Status: Active Update: 28-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12344
USES
用途与制造
Use Classification
Environmental transformation -> Pesticide transformation products (metabolite, successor)
ALIASES
名称与别名
REACTIONS
相关反应
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