2,2-Dimethoxy-1-methylpyrrolidine 分子结构式
HCID11073552

2,2-Dimethoxy-1-methylpyrrolidine

C7H15NO2145.2 g/molCAS 39650-82-3

IDENTITY

结构与身份

标准SMILES
COC1(OC)CCCN1C
InChIKey
IWVFFVBJTCPIIG-UHFFFAOYSA-N
分子式
C7H15NO2
平均分子量
145.2 g/mol
单同位素质量
145.11027872

COMPUTED

结构计算性质

已同步
XLogP
0.5
极性表面积
21.7 Ų
氢键供体
0
氢键受体
3
可旋转键
2
重原子
10
形式电荷
0
复杂度
112

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 11 条
2,2-dimethoxy-1-methylpyrrolidineRefChem:441195832-957-239650-82-3Pyrrolidine, 2,2-dimethoxy-1-methyl-N-methyl-2-pyrrolidone dimethyl acetalSCHEMBL5915754DTXSID30454158IWVFFVBJTCPIIG-UHFFFAOYSA-NPBA65082EN300-118986

REACTIONS

参与反应

7
HRID 60390 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440967B2

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HRID 60403 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440967B2

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HRID 60404 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440967B2

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HRID 1110860 反应方程式

uspto-grants-1990_12 · 10.6084/m9.figshare.5104873.v1 · US04977178

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HRID 1537169 反应方程式

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

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HRID 1638452 反应方程式

uspto-grants-1989_11 · 10.6084/m9.figshare.5104873.v1 · US04879391

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HRID 1723540 反应方程式

uspto-grants-1989_08 · 10.6084/m9.figshare.5104873.v1 · US04861880

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