4-Phenyl-delta-valerolactam 分子结构式
HCID3279694

4-Phenyl-delta-valerolactam

5-phenylpiperidin-2-one

C11H13NO175.23 g/molCAS 3973-63-5

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

已同步
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

共 24 条
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

相关反应

4
HRID 7399 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087596B2

查看
HRID 852593 反应方程式

uspto-grants-2007_08 · 10.6084/m9.figshare.5104873.v1 · US07253198B2

查看
HRID 1452512 反应方程式

uspto-grants-2009_01 · 10.6084/m9.figshare.5104873.v1 · US07473697B2

查看
HRID 1546166 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

查看