Cas no 52741-69-2 (2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-(iodomethyl)-)
![2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-(iodomethyl)- structure](https://ossimg.kuujia.com/scimg/53000/52741-69-2x500.png)
52741-69-2 structure
Product Name:2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-(iodomethyl)-
CAS No:52741-69-2
MF:C7H14INO3Si
MW:315.180935382843
CID:358979
PubChem ID:4156808
Update Time:2025-04-19
2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-(iodomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-(iodomethyl)-
- 5-(iodomethyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
- 52741-69-2
- DTXSID60400042
- 1-(iodomethyl)silatrane
- SCHEMBL11730305
-
- Inchi： 1S/C7H14INO3Si/c8-7-13-10-4-1-9(2-5-11-13)3-6-12-13/h1-7H2
- InChI Key： ANBMCBALZHWSKA-UHFFFAOYSA-N
- SMILES： IC[Si]12OCCN(CCO1)CCO2
Computed Properties
- Exact Mass: 314.97832
- Monoisotopic Mass: 314.97877g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 157
- 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
- Topological Polar Surface Area: 30.9?2
Experimental Properties
- PSA: 30.93
2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-(iodomethyl)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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