Cas no 646056-84-0 (Spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine], 1'-(3-pyridazinyl)-)
![Spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine], 1'-(3-pyridazinyl)- structure](https://ossimg.kuujia.com/scimg/646500/646056-84-0x500.png)
646056-84-0 structure
Product Name:Spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine], 1'-(3-pyridazinyl)-
CAS No:646056-84-0
MF:C13H18N4
MW:230.308822154999
CID:421656
PubChem ID:10331440
Update Time:2025-04-19
Spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine], 1'-(3-pyridazinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine], 1'-(3-pyridazinyl)-
- 1'-pyridazin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine]
- SCHEMBL1615624
- DTXSID80438241
- 646056-84-0
-
- Inchi： 1S/C13H18N4/c1-2-12(15-14-5-1)16-7-4-13(10-16)8-11-3-6-17(13)9-11/h1-2,5,11H,3-4,6-10H2
- InChI Key： HEUFMWWSUMTRSQ-UHFFFAOYSA-N
- SMILES： N12CCC(C1)CC12CN(C2=CC=CN=N2)CC1
Computed Properties
- Exact Mass: 230.15334
- Monoisotopic Mass: 230.153146591g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 308
- 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
- XLogP3: 0.9
- Topological Polar Surface Area: 32.3?2
Experimental Properties
- PSA: 32.26
Spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine], 1'-(3-pyridazinyl)- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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