HCID76349

1,5-Diazabicyclo(4.3.0)non-5-ene

2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine

C7H12N2124.18 g/molCAS 3001-72-7

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IDENTITY

结构与身份

标准SMILES: C1CN=C2CCCN2C1
InChIKey: SGUVLZREKBPKCE-UHFFFAOYSA-N
分子式: C7H12N2
平均分子量: 124.18 g/mol
单同位素质量: 124.10004839

COMPUTED

结构计算性质

已同步

XLogP: -0.2
极性表面积: 15.6 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 140

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Chemical: Pyrrolo[1,2-a]pyrimidine, 2,3,4,6,7,8-hexahydro-

1,5-Diazabicyclo(4.3.0)non-5-ene: Does not have an individual approval but may be used under an appropriate group standard

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Chemical: Pyrrolo[1,2-a]pyrimidine, 2,3,4,6,7,8-hexahydro-

1,5-Diazabicyclo(4.3.0)non-5-ene: Does not have an individual approval but may be used under an appropriate group standard

ALIASES

名称与别名

共 64 条

3001-72-71,5-Diazabicyclo[4.3.0]non-5-ene2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine1,5-Diazabicyclo(4.3.0)non-5-ene978M4OL12QNSC-118106DTXSID101840872,3,4,6,7,8-hexahydropyrrolo(1,2-a)pyrimidineRefChem:417183diazabicyclo(4.3.0)nonenDTXCID20106578221-087-32H,3H,4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidinePyrrolo[1,2-a]pyrimidine, 2,3,4,6,7,8-hexahydro-MFCD000055541,5-Diazabicyclo[4.3.0]-5-noneneUNII-978M4OL12QEINECS 221-087-31,5-diazabicyclo[4,3,0]non-5-eneNSC 118106

REACTIONS

参与反应

131 条

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

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

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

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

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193165B2

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193165B2

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07871998B2

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uspto-grants-1993_11 · 10.6084/m9.figshare.5104873.v1 · US05258387

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