反应SMILES:Cn1cc(C=O)c2ccccc21
HCID87894

1-Methyl-1H-indole-3-carbaldehyde

1-methylindole-3-carbaldehyde

C10H9NO159.18 g/molCAS 19012-03-4

IDENTITY

结构与身份

标准SMILES
Cn1cc(C=O)c2ccccc21
InChIKey
KXYBYRKRRGSZCX-UHFFFAOYSA-N
分子式
C10H9NO
平均分子量
159.18 g/mol
单同位素质量
159.06841391

COMPUTED

结构计算性质

已同步
XLogP
1.7
极性表面积
22 Ų
氢键供体
0
氢键受体
1
可旋转键
1
重原子
12
形式电荷
0
复杂度
181

PROPERTIES

实验与物化性质

来源:PubChem
Solubility

>23.9 [ug/mL] (The mean of the results at pH 7.4)

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 (97.6%): 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)

Aggregated GHS information provided per 42 reports by companies from 5 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

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (97.6%)

ALIASES

名称与别名

共 65 条
1-Methyl-1H-indole-3-carbaldehyde19012-03-41-Methylindole-3-carboxaldehyde1-methylindole-3-carbaldehyde1H-Indole-3-carboxaldehyde, 1-methyl-3-Formyl-1-methylindoleN-Methyl-3-formylindole1-Methyl-3-formylindoleN-Methyl-3-indolecarboxaldehydeN-Methylindole-3-carbaldehydeZ612E3VMZ5EINECS 242-750-3NSC-83042AI3-51477DTXSID50172483NSC 83042RefChem:433863DTXCID2094974242-750-3MFCD00014570

REACTIONS

参与反应

37
HRID18227

uspto-grants-2010_06

作为反应物
HRID 18227 方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741339B2

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HRID18297

uspto-grants-2010_06

作为反应物
HRID 18297 方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741339B2

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HRID19424

uspto-grants-2010_06

作为反应物
HRID 19424 方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07744658B2

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HRID112227

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 112227 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID113568

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 113568 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID135256

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 135256 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID225880

uspto-grants-2009_07

作为反应物
HRID 225880 方程式

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07557125B2

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HRID230125

uspto-grants-2009_07

作为反应物
HRID 230125 方程式

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07566716B2

查看