Cas no 64183-86-4 (2-Azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene)
![2-Azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene structure](https://ossimg.kuujia.com/scimg/64500/64183-86-4x500.png)
64183-86-4 structure
Product Name:2-Azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
CAS No:64183-86-4
MF:C10H9N
MW:143.185162305832
CID:424789
PubChem ID:15570693
Update Time:2025-04-19
2-Azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene Chemical and Physical Properties
Names and Identifiers
-
- 2-Azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
- 2,4-[1,3]Butadieno-3H-azepine
- 7-azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
- 2-Azabicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene
- 64183-86-4
- DTXSID30574562
-
- Inchi： 1S/C10H9N/c1-2-6-10-8-9(4-1)5-3-7-11-10/h1-7H,8H2
- InChI Key： BSQUBFJCFCOOHW-UHFFFAOYSA-N
- SMILES： N1=CC=CC2=CC=CC=C1C2
Computed Properties
- Exact Mass: 143.07357
- Monoisotopic Mass: 143.073499291g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 122
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- PSA: 12.36
2-Azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene Related Literature
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
64183-86-4 (2-Azabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene) Related Products
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