5-(Benzyloxy)-2,3-dihydro-1H-indole 分子结构式
HCID16794881

5-(Benzyloxy)-2,3-dihydro-1H-indole

5-phenylmethoxy-2,3-dihydro-1H-indole

C15H15NO225.28 g/molCAS 92818-36-5

IDENTITY

结构与身份

标准SMILES
c1ccc(COc2ccc3c(c2)CCN3)cc1
InChIKey
NHULNFPNWXCXDI-UHFFFAOYSA-N
分子式
C15H15NO
平均分子量
225.28 g/mol
单同位素质量
225.1153641

COMPUTED

结构计算性质

已同步
XLogP
3.7
极性表面积
21.3 Ų
氢键供体
1
氢键受体
2
可旋转键
3
重原子
17
形式电荷
0
复杂度
237

GHS

GHS分类

来源:PubChem
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

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 23 条
92818-36-55-(benzyloxy)-2,3-dihydro-1H-indoleDTXSID30588624RefChem:300219DTXCID805393885-(Benzyloxy)indoline5-Benzyloxy-2,3-dihydro-1H-indole5-Benzyloxyindoline5-phenylmethoxy-2,3-dihydro-1H-indoleMFCD073716275-benzyloxy-indolineSCHEMBL1366136SCHEMBL3875255NHULNFPNWXCXDI-UHFFFAOYSA-NSDA81836AKOS022175913SB39992AS-36259SY065929DB-079421

REACTIONS

参与反应

6
HRID 49492 反应方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06706751B2

查看
HRID 132136 反应方程式

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07384970B2

查看
HRID 204344 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看
HRID 1597952 反应方程式

uspto-grants-1998_04 · 10.6084/m9.figshare.5104873.v1 · US05736534

查看
HRID 1633673 反应方程式

uspto-grants-2003_01 · 10.6084/m9.figshare.5104873.v1 · US06503907B2

查看
HRID 2212526 反应方程式

uspto-grants-2006_09 · 10.6084/m9.figshare.5104873.v1 · US07102007B2

查看