6-Methyl-1,3-dioxaindan-5-amine 分子结构式
HCID12445340

6-Methyl-1,3-dioxaindan-5-amine

6-methyl-1,3-benzodioxol-5-amine

C8H9NO2151.16 g/molCAS 62052-49-7

IDENTITY

结构与身份

标准SMILES
Cc1cc2c(cc1N)OCO2
InChIKey
PFLGEPXBHVTBNJ-UHFFFAOYSA-N
分子式
C8H9NO2
平均分子量
151.16 g/mol
单同位素质量
151.06332853

COMPUTED

结构计算性质

已同步
XLogP
1.4
极性表面积
44.5 Ų
氢键供体
1
氢键受体
3
可旋转键
0
重原子
11
形式电荷
0
复杂度
151

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 31 条
6-methyl-1,3-dioxaindan-5-amineRefChem:543770964-194-762052-49-76-Methylbenzo[d][1,3]dioxol-5-amine(6-Methyl-1,3-benzodioxol-5-yl)amine6-methyl-1,3-benzodioxol-5-amine6-methyl-2H-1,3-benzodioxol-5-amineMFCD006665996-methyl-2H-benzo[d]1,3-dioxolene-5-ylamineSCHEMBL1027495SCHEMBL30030734DTXSID60498520PFLGEPXBHVTBNJ-UHFFFAOYSA-NALBB-025243SBB072242STK895046(3,4-methylenedioxy)-6-methylanilineAKOS003351192CCG-344703

REACTIONS

参与反应

11
HRID 32798 反应方程式

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427630B2

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HRID 96922 反应方程式

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

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HRID 990067 反应方程式

uspto-grants-2002_10 · 10.6084/m9.figshare.5104873.v1 · US06458805B2

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HRID 1067640 反应方程式

uspto-grants-2001_06 · 10.6084/m9.figshare.5104873.v1 · US06248767B1

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HRID 1167000 反应方程式

uspto-grants-2003_09 · 10.6084/m9.figshare.5104873.v1 · US06613804B2

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HRID 1251832 反应方程式

uspto-grants-2002_01 · 10.6084/m9.figshare.5104873.v1 · US06342610B2

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HRID 1543619 反应方程式

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

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HRID 1738575 反应方程式

uspto-grants-1999_10 · 10.6084/m9.figshare.5104873.v1 · US05962490

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