Cas no 109746-53-4 (6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene)
![6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene structure](https://ossimg.kuujia.com/scimg/110000/109746-53-4x500.png)
109746-53-4 structure
Product Name:6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene
CAS No:109746-53-4
MF:C13H21N3O2
MW:251.324743032455
CID:1189185
PubChem ID:13925405
Update Time:2025-04-20
6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene Chemical and Physical Properties
Names and Identifiers
-
- 6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene
- 3,12,18-triaza-6,9-dioxabicyclo[12.3.1]octadeca-1(18),14,16-triene
- 6,9-dioxa-3,12,18-triazabicyclo<
- 12.3.1>
- octadeca-1(18),14,16-triene
- AGN-PC-00ODLY
- ACMC-20mcji
- CTK0D5609
- 3,12,18-triaza-6,9-dioxabicyclo[12.3.1]octadeca-1(18),14,16-triene; 6,9-dioxa-3,12,18-triazabicyclo< 12.3.1> octadeca-1(18),14,16-triene; AGN-PC-00ODLY; ACMC-20mcji; CTK0D5609;
- 109746-53-4
- SCHEMBL18312432
- DTXSID20552591
-
- Inchi： 1S/C13H21N3O2/c1-2-12-10-14-4-6-17-8-9-18-7-5-15-11-13(3-1)16-12/h1-3,14-15H,4-11H2
- InChI Key： WHHUJVBPOFGGBC-UHFFFAOYSA-N
- SMILES： O1CCOCCNCC2=CC=CC(CNCC1)=N2
Computed Properties
- Exact Mass: 251.16337692g/mol
- Monoisotopic Mass: 251.16337692g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 196
- 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: -0.9
- Topological Polar Surface Area: 55.4?2
6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene Related Literature
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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