Cas no 64474-08-4 (2-Dodecanone,12-[(2R,5R,6R)-5-hydroxy-6-methyl-2-piperidinyl]-)
![2-Dodecanone,12-[(2R,5R,6R)-5-hydroxy-6-methyl-2-piperidinyl]- structure](https://ossimg.kuujia.com/scimg/64500/64474-08-4x500.png)
64474-08-4 structure
Product Name:2-Dodecanone,12-[(2R,5R,6R)-5-hydroxy-6-methyl-2-piperidinyl]-
CAS No:64474-08-4
MF:C18H35NO2
MW:297.476005792618
CID:516149
Update Time:2025-04-19
2-Dodecanone,12-[(2R,5R,6R)-5-hydroxy-6-methyl-2-piperidinyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Dodecanone,12-[(2R,5R,6R)-5-hydroxy-6-methyl-2-piperidinyl]-
- (+)-iso-6-Cassine
- (+)-6-Isocassine
- 2-Dodecanone,12-(5-hydroxy-6-methyl-2-piperidinyl)-, [2R-(2a,5b,6b)]-
- 6-Isocassine
- Isocassine
-
- Inchi： 1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3
- InChI Key： QPRMGHKASRLPJP-UHFFFAOYSA-N
- SMILES： CC1C(O)CCC(CCCCCCCCCCC(=O)C)N1
Computed Properties
- Exact Mass: 297.26695
- Monoisotopic Mass: 297.267
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 11
- Complexity: 280
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 49.3A^2
Experimental Properties
- PSA: 49.33
2-Dodecanone,12-[(2R,5R,6R)-5-hydroxy-6-methyl-2-piperidinyl]- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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3. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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