Cas no 5227-24-7 (2-Dodecanone,12-[(2S,5R,6R)-5-hydroxy-6-methyl-2-piperidinyl]-)
![2-Dodecanone,12-[(2S,5R,6R)-5-hydroxy-6-methyl-2-piperidinyl]- structure](https://ossimg.kuujia.com/scimg/5500/5227-24-7x500.png)
5227-24-7 structure
Product Name:2-Dodecanone,12-[(2S,5R,6R)-5-hydroxy-6-methyl-2-piperidinyl]-
CAS No:5227-24-7
MF:C18H35NO2
MW:297.476005792618
CID:372439
PubChem ID:193405
Update Time:2025-04-19
2-Dodecanone,12-[(2S,5R,6R)-5-hydroxy-6-methyl-2-piperidinyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Dodecanone,12-[(2S,5R,6R)-5-hydroxy-6-methyl-2-piperidinyl]-
- cassine
- 5227-24-7
- AC1L4W78
- Q5756672
- CHEBI:3456
- 12-[(2S,5R,6R)-5-hydroxy-6-methyl-2-piperidyl]dodecan-2-one
- CHEMBL2262843
- AC1Q5CI5
- 12-(5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one
- DTXSID90966641
- (-)-Cassine
-
- 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/t16-,17+,18-/m1/s1
- InChI Key： QPRMGHKASRLPJP-FGTMMUONSA-N
- SMILES： O[C@@H]1CC[C@H](CCCCCCCCCCC(C)=O)N[C@@H]1C
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
- XLogP3: 4.1
- Topological Polar Surface Area: 49.3?2
Experimental Properties
- Density: 0.931
- Boiling Point: 424.8°Cat760mmHg
- Flash Point: 210.7°C
- Refractive Index: 1.465
- PSA: 49.33
2-Dodecanone,12-[(2S,5R,6R)-5-hydroxy-6-methyl-2-piperidinyl]- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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