HRID2938
uspto-grants-1998_03
作为反应物
uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05731336
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1
- InChIKey
- LJXTYJXBORAIHX-UHFFFAOYSA-N
- 分子式
- C13H19NO4
- 平均分子量
- 253.29 g/mol
- 单同位素质量
- 253.13140809
COMPUTED
结构计算性质
- XLogP
- 1.8
- 极性表面积
- 64.6 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 6
- 重原子
- 18
- 形式电荷
- 0
- 复杂度
- 383
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 (97.8%): 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 46 reports by companies from 6 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
Hazard Classes and Categories
Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)
ALIASES
名称与别名
1149-23-1Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylateEtidinHantzsch esterDiethoneHantzsch's dihydropyridine3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, diethyl esterdiludinGWN6123BUG2,6-Dimethyl-3,5-diethoxycarbonyl-1,4-dihydropyridineDTXSID801508952,6-dimethyl-3,5-dicarbethoxy-1,4-dihydropyridineethidinDM-DEOC-DHPRefChem:139231DTXCID4073386DiludineEthidinediethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateMFCD00005951
REACTIONS
参与反应
HRID41146
uspto-grants-2013_09
作为反应物
uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530520B2
查看条件与参与物HRID148190
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物HRID154431
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物HRID174971
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物HRID273884
uspto-grants-1995_02
作为反应物
uspto-grants-1995_02 · 10.6084/m9.figshare.5104873.v1 · US05387690
查看条件与参与物HRID291035
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看条件与参与物HRID467191
uspto-grants-1992_10
作为反应物
uspto-grants-1992_10 · 10.6084/m9.figshare.5104873.v1 · US05158966
查看条件与参与物