Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- CC(C)C1CNCCN1
- InChIKey
- HBCSNWKQNPKIHK-UHFFFAOYSA-N
- 分子式
- C7H16N2
- 平均分子量
- 128.22 g/mol
- 单同位素质量
- 128.13134852
COMPUTED
结构计算性质
- XLogP
- 0.5
- 极性表面积
- 24.1 Ų
- 氢键供体
- 2
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 9
- 形式电荷
- 0
- 复杂度
- 81
GHS
GHS分类
GHS Classification
Warning
H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H411 (97.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
Eye Irrit. 2 (97.4%)；Aquatic Chronic 2 (97.4%)
ALIASES
名称与别名
84468-53-12-(PROPAN-2-YL)PIPERAZINERefChem:462016804-501-22-Isopropylpiperazine2-propan-2-ylpiperazineMFCD07373042(2R)-2-propan-2-ylpiperazine2-ISOPROPYL-PIPERAZINEracemic 2-isopropylpiperazineSCHEMBL193923SCHEMBL194131F2147-0828SCHEMBL2911557AKOS006287262AB36138AB36140AB36142AT22713SY023931
REACTIONS
相关反应
uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595397B2
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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595397B2
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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
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