uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087596B2
查看IDENTITY
结构与身份
- 标准SMILES
- O=C1CCC(c2ccccc2)CN1
- InChIKey
- KNYJDLYSXYMKTA-UHFFFAOYSA-N
- 分子式
- C11H13NO
- 平均分子量
- 175.23 g/mol
- 单同位素质量
- 175.09971404
COMPUTED
结构计算性质
- XLogP
- 1.4
- 极性表面积
- 29.1 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 1
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 185
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
ALIASES
名称与别名
3973-63-54-phenyl-delta-valerolactamRefChem:526388890-038-15-phenylpiperidin-2-one5-Phenyl-2-piperidinone2-Piperidinone, 5-phenyl-MFCD021790475-phenyl-2-piperidoneOprea1_198174SCHEMBL2790425SCHEMBL8087063KNYJDLYSXYMKTA-UHFFFAOYSA-NALBB-016288AKOS006241123SB41805AS-54914SY032700DB-340997CS-0213203
REACTIONS