Cas no 102363-19-9 (3,7,11,17-Tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene)
![3,7,11,17-Tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene structure](https://ossimg.kuujia.com/scimg/102500/102363-19-9x500.png)
102363-19-9 structure
Product Name:3,7,11,17-Tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene
CAS No:102363-19-9
MF:C13H22N4
MW:234.340582370758
CID:1135322
PubChem ID:11402075
Update Time:2025-04-20
3,7,11,17-Tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene Chemical and Physical Properties
Names and Identifiers
-
- 3,7,11,17-Tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene
- 3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(17),13,15-triene
- DTXSID90464773
- SCHEMBL20837979
- 3,7,11,17-tetraazabicyclo[11,3,1]heptadec1(17),13,15-triene
- 3,7,11-Triaza-1(2,6)-pyridinacyclododecaphane
- 102363-19-9
-
- Inchi： 1S/C13H22N4/c1-4-12-10-15-8-2-6-14-7-3-9-16-11-13(5-1)17-12/h1,4-5,14-16H,2-3,6-11H2
- InChI Key： WPDDXLXLHUKSGP-UHFFFAOYSA-N
- SMILES： N1CCCNCC2C=CC=C(CNCCC1)N=2
Computed Properties
- Exact Mass: 234.18466
- Monoisotopic Mass: 234.18444672g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 180
- 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: -0.3
- Topological Polar Surface Area: 49?2
Experimental Properties
- PSA: 48.98
3,7,11,17-Tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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