Cas no 91318-69-3 (5-Azatricyclo[4.3.1.03,8]decan-4-one;hydrate)
![5-Azatricyclo[4.3.1.03,8]decan-4-one;hydrate structure](https://ossimg.kuujia.com/scimg/91500/91318-69-3x500.png)
91318-69-3 structure
Product Name:5-Azatricyclo[4.3.1.03,8]decan-4-one;hydrate
CAS No:91318-69-3
MF:C18H28N2O3
MW:320.426525115967
CID:2813743
PubChem ID:71328147
Update Time:2025-04-21
5-Azatricyclo[4.3.1.03,8]decan-4-one;hydrate Chemical and Physical Properties
Names and Identifiers
-
- Octahydro-1H-3,6-methanocyclopenta[c]pyridin-1-one--water (2/1)
- DTXSID90757132
- 91318-69-3
- 5-Azatricyclo[4.3.1.03,8]decan-4-one;hydrate
-
- Inchi： 1S/2C9H13NO.H2O/c2*11-9-8-3-5-1-6(8)4-7(2-5)10-9;/h2*5-8H,1-4H2,(H,10,11);1H2
- InChI Key： PWUVPQXYHLRFCS-UHFFFAOYSA-N
- SMILES： O=C1C2CC3CC(CC2C3)N1.O=C1C2CC3CC(CC2C3)N1.O
Computed Properties
- Exact Mass: 320.20999276Da
- Monoisotopic Mass: 320.20999276Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 214
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 59.2?2
5-Azatricyclo[4.3.1.03,8]decan-4-one;hydrate Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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