(+-)-1,4-Diazabicyclo[4.4.0]decane 分子结构式
HCID2876391

(+-)-1,4-Diazabicyclo[4.4.0]decane

2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

C8H16N2140.23 g/molCAS 4430-75-5

IDENTITY

结构与身份

标准SMILES
C1CCN2CCNCC2C1
InChIKey
ONHPOXROAPYCGT-UHFFFAOYSA-N
分子式
C8H16N2
平均分子量
140.23 g/mol
单同位素质量
140.13134852

COMPUTED

结构计算性质

已同步
XLogP
0.5
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
10
形式电荷
0
复杂度
114

GHS

GHS分类

GHS Classification

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): 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 2 reports by companies from 2 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

Hazard Classes and Categories

Skin Corr. 1B (50%);Skin Irrit. 2 (50%);Eye Irrit. 2 (50%);STOT SE 3 (50%)

ALIASES

名称与别名

共 47 条
(+-)-1,4-Diazabicyclo(4.4.0)decane(+-)-1,4-Diazabicyclo[4.4.0]decaneRefChem:390809692-685-34430-75-5octahydro-1h-pyrido[1,2-a]pyrazineOctahydro-2H-pyrido[1,2-a]pyrazineOctahydro-pyrido[1,2-a]pyrazine1,4-diazabicyclo[4.4.0]decane2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine(+/-)-1,4-Diazabicyclo[4.4.0]decaneMFCD01098257CHEMBL98511Octahydropyrido[1,2-a]pyrazineoctahydro-1H-pyrido[1,2-a]piperazineSCHEMBL65291SCHEMBL174054SCHEMBL338531SCHEMBL338532(+/-)-1,4-diazabicyclo[

REACTIONS

相关反应

31
HRID 16808 反应方程式

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HRID 104040 反应方程式

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

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HRID 104858 反应方程式

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

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HRID 165837 反应方程式

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

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HRID 284521 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 293351 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 400512 反应方程式

uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08741899B2

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HRID 400513 反应方程式

uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08741899B2

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