Cas no 136173-85-8 (Clausenamide)
Clausenamide structure
Product Name:Clausenamide
CAS No:136173-85-8
MF:C18H17NO2
MW:279.333084821701
CID:2030202
PubChem ID:16120100
Update Time:2025-04-21
Clausenamide Chemical and Physical Properties
Names and Identifiers
-
- Clausenamide
- DTXSID901155360
- (5R,6S)-5,6-Dihydro-5-hydroxy-3-methyl-6-phenyl-3-benzazocin-4(3H)-one
- 136173-85-8
-
- Inchi： 1S/C18H17NO2/c1-19-12-11-13-7-5-6-10-15(13)16(17(20)18(19)21)14-8-3-2-4-9-14/h2-12,16-17,20H,1H3
- InChI Key： VRSSZILNAITUII-UHFFFAOYSA-N
- SMILES： CN1C(=O)C(O)C(C2C=CC=CC=2)C2C(=CC=CC=2)C=C1
Computed Properties
- Exact Mass: 279.125928785Da
- Monoisotopic Mass: 279.125928785Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 400
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 40.5?2
Clausenamide Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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