Cas no 286944-34-1 (3,8-Diazabicyclo[3.2.1]octane,3-(3-pyridazinyl)-)
286944-34-1 structure
Product Name:3,8-Diazabicyclo[3.2.1]octane,3-(3-pyridazinyl)-
CAS No:286944-34-1
MF:C10H14N4
MW:190.244961261749
CID:248666
PubChem ID:45115772
Update Time:2025-04-19
3,8-Diazabicyclo[3.2.1]octane,3-(3-pyridazinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3,8-Diazabicyclo[3.2.1]octane,3-(3-pyridazinyl)-
- 3-(3-Pyridazinyl)-3,8-diazabicyclo[3.2.1]octane
- 3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane
- 286944-34-1
- SCHEMBL5379483
- 3,8-Diazabicyclo[3.2.1]octane,3-(3-pyridazinyl)-(9CI)
- DTXSID60668347
- 3-(Pyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane
-
- Inchi: 1S/C10H14N4/c1-2-10(13-11-5-1)14-6-8-3-4-9(7-14)12-8/h1-2,5,8-9,12H,3-4,6-7H2
- InChI Key: INDTZLSYOLLVAH-UHFFFAOYSA-N
- SMILES: N1C2CN(C3=CC=CN=N3)CC1CC2
Computed Properties
- Exact Mass: 190.12202
- Monoisotopic Mass: 190.121846464g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 196
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.3
- Topological Polar Surface Area: 41?2
Experimental Properties
- PSA: 41.05
3,8-Diazabicyclo[3.2.1]octane,3-(3-pyridazinyl)- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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