HCID22014791

6-(benzyloxy)-1H-indole-3-carbaldehyde

6-phenylmethoxy-1H-indole-3-carbaldehyde

C16H13NO2251.28 g/molCAS 92855-64-6

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IDENTITY

结构与身份

标准SMILES: O=Cc1c[nH]c2cc(OCc3ccccc3)ccc12
InChIKey: UUKFCVCTRWNXBI-UHFFFAOYSA-N
分子式: C16H13NO2
平均分子量: 251.28 g/mol
单同位素质量: 251.09462866

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 42.1 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 4
重原子: 19
形式电荷: 0
复杂度: 301

GHS

GHS分类

来源：PubChem

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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

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

ALIASES

名称与别名

共 32 条

92855-64-66-(benzyloxy)-1H-indole-3-carbaldehydeDTXSID50621502RefChem:306717DTXCID40572256828-542-06-BENZYLOXYINDOLE-3-CARBALDEHYDE6-Benzyloxyindole-3-carboxaldehydeMFCD000569316-phenylmethoxy-1H-indole-3-carbaldehyde6-benzyloxy-1H-indole-3-carbaldehyde1H-Indole-3-carboxaldehyde, 6-(phenylmethoxy)-SCHEMBL1418239SCHEMBL29951517UUKFCVCTRWNXBI-UHFFFAOYSA-NALBB-035503SBB067557STK931234AKOS0052591266-(phenylmethoxy)indole-3-carbaldehyde

REACTIONS

参与反应

1 条

uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09085555B2

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