Cas no 281-29-8 (1,3-Diazatricyclo[3.3.1.13,7]decane)
![1,3-Diazatricyclo[3.3.1.13,7]decane structure](https://ossimg.kuujia.com/scimg/500/281-29-8x500.png)
281-29-8 structure
Product Name:1,3-Diazatricyclo[3.3.1.13,7]decane
1,3-Diazatricyclo[3.3.1.13,7]decane Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Diazatricyclo[3.3.1.13,7]decane
- 1,3-Diazaadamantane
- DTXSID20182377
- 1,3-Diazatricyclo[3.3.1.1<3,7>]decane
- QQQIDWOQAXJWFO-UHFFFAOYSA-N
- SCHEMBL3159686
- 281-29-8
- 1,3-Diazatricyclo(3.3.1.13,7)decane
-
- Inchi： 1S/C8H14N2/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-8H,1-6H2
- InChI Key： QQQIDWOQAXJWFO-UHFFFAOYSA-N
- SMILES： N12CN3CC(C1)CC(C3)C2
Computed Properties
- Exact Mass: 138.11582
- Monoisotopic Mass: 138.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 129
- 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: 0.6
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- Density: 1.16
- Boiling Point: 191.3°Cat760mmHg
- Flash Point: 64°C
- Refractive Index: 1.598
- PSA: 6.48
1,3-Diazatricyclo[3.3.1.13,7]decane Related Literature
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Joseph P. Michael Nat. Prod. Rep. 2007 24 191
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Ivan A. Mezentsev-Cherkes,Tatiana A. Shestimerova,Aleksei V. Medved'ko,Mikhail A. Kalinin,Alexey N. Kuznetsov,Zheng Wei,Evgeny V. Dikarev,Sergey Z. Vatsadze,Andrei V. Shevelkov CrystEngComm 2021 23 2384
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Mohamed Elagawany,Lingaiah Maram,Bahaa Elgendy RSC Adv. 2021 11 7564
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