Cas no 78668-33-4 (3,6,9,12,18-Pentaazabicyclo[12.3.1]octadeca-1(18),14,16-triene)
![3,6,9,12,18-Pentaazabicyclo[12.3.1]octadeca-1(18),14,16-triene structure](https://ossimg.kuujia.com/scimg/79000/78668-33-4x500.png)
78668-33-4 structure
Product Name:3,6,9,12,18-Pentaazabicyclo[12.3.1]octadeca-1(18),14,16-triene
CAS No:78668-33-4
MF:C13H23N5
MW:249.355221986771
CID:534143
PubChem ID:11207423
Update Time:2025-04-19
3,6,9,12,18-Pentaazabicyclo[12.3.1]octadeca-1(18),14,16-triene Chemical and Physical Properties
Names and Identifiers
-
- 3,6,9,12,18-Pentaazabicyclo[12.3.1]octadeca-1(18),14,16-triene
- 3,6,9,12,18-pentazabicyclo[12.3.1]octadeca-1(18),14,16-triene
- 78668-33-4
- SCHEMBL8235408
- DTXSID00458789
-
- Inchi： 1S/C13H23N5/c1-2-12-10-16-8-6-14-4-5-15-7-9-17-11-13(3-1)18-12/h1-3,14-17H,4-11H2
- InChI Key： UJPWFBPXKOLBJT-UHFFFAOYSA-N
- SMILES： N1CCNCC2=CC=CC(CNCCNCC1)=N2
Computed Properties
- Exact Mass: 249.19534575g/mol
- Monoisotopic Mass: 249.19534575g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 192
- 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: -1.4
- Topological Polar Surface Area: 61?2
3,6,9,12,18-Pentaazabicyclo[12.3.1]octadeca-1(18),14,16-triene Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
78668-33-4 (3,6,9,12,18-Pentaazabicyclo[12.3.1]octadeca-1(18),14,16-triene) Related Products
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