反应SMILES:C1CC2CNCCN2C1
HCID558578

Octahydropyrrolo(1,2-a)pyrazine

1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

C7H14N2126.2 g/molCAS 5654-83-1

IDENTITY

结构与身份

标准SMILES
C1CC2CNCCN2C1
InChIKey
FTTATHOUSOIFOQ-UHFFFAOYSA-N
分子式
C7H14N2
平均分子量
126.2 g/mol
单同位素质量
126.11569846

COMPUTED

结构计算性质

已同步
XLogP
0.2
极性表面积
15.3 Ų
氢键供体
1
氢键受体
2
可旋转键
0
重原子
9
形式电荷
0
复杂度
103

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 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 (33.3%);Eye Irrit. 2A (33.3%);STOT SE 3 (33.3%)

ALIASES

名称与别名

共 47 条
Octahydropyrrolo[1,2-a]pyrazine5654-83-1DTXSID10339772Octahydropyrrolo(1,2-a)pyrazineRefChem:167763DTXCID50290853639-325-31,4-Diazabicyclo[4.3.0]nonaneOctahydro-pyrrolo[1,2-a]pyrazine1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazinepyrrolo[1,2-a]pyrazine, octahydro-MFCD00082600octahydropyrrolo[1,2-a]piperazine1,4-diazabicyclo(1,4-diazabicyclo[octahydro-pyrrolo(1,2-a)pyrazine1,4-diazabicyclo(4.3.0)nonaneSCHEMBL44952SCHEMBL63706SCHEMBL95184

REACTIONS

参与反应

64
HRID16807

uspto-grants-2010_06

作为反应物
HRID 16807 方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737149B2

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HRID16817

uspto-grants-2010_06

作为反应物
HRID 16817 方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737149B2

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HRID16826

uspto-grants-2010_06

作为反应物
HRID 16826 方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737149B2

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HRID99065

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

作为反应物
HRID 99065 方程式

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

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HRID102460

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

作为反应物
HRID 102460 方程式

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

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HRID170208

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

作为反应物
HRID 170208 方程式

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

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HRID173142

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

作为反应物
HRID 173142 方程式

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

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HRID183845

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

作为反应物
HRID 183845 方程式

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

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