HRID123557
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- OC1CC2CCC(C1)N2
- InChIKey
- YYMCYJLIYNNOMK-UHFFFAOYSA-N
- 分子式
- C7H13NO
- 平均分子量
- 127.18 g/mol
- 单同位素质量
- 127.09971404
COMPUTED
结构计算性质
- XLogP
- 0.3
- 极性表面积
- 32.3 Ų
- 氢键供体
- 2
- 氢键受体
- 2
- 可旋转键
- 0
- 重原子
- 9
- 形式电荷
- 0
- 复杂度
- 103
PROPERTIES
实验与物化性质
Melting Point
134.5 - 135 °C
Physical Description
Solid
GHS
GHS 分类
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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.
HAZARDS
危害信息
Hazard Classes and Categories
Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
PHARMACOLOGY
药理信息
Cellular Locations
Cytoplasm；Extracellular
ALIASES
名称与别名
8-Azabicyclo[3.2.1]octan-3-olDTXSID409645168-azabicyclo(3.2.1)octan-3-olRefChem:547610DTXCID601392214826-257-67432-11-3NortropinTropigeninTropigenineNorpseudotropineNor-psi-tropine3-beta-NortropanolPseudonortropinePseudotropigenine501-33-7NortropenolNortropane, 3-hydroxy-1-alpha-H,5-alpha-H-Nortropan-3-beta-olNSC72850
REACTIONS
参与反应
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uspto-grants-2016_03
作为反应物
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Validation data from https://doi.org/10.1039/C8SC04228D
作为反应物
Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看条件与参与物HRID983884
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作为反应物
uspto-grants-2005_03 · 10.6084/m9.figshare.5104873.v1 · US06867201B2
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