Cas no 61546-81-4 (5-Azecinol, decahydro-1-methyl-)
61546-81-4 structure
Product Name:5-Azecinol, decahydro-1-methyl-
CAS No:61546-81-4
MF:C10H21NO
MW:171.279843091965
CID:475376
PubChem ID:12342740
Update Time:2025-04-19
5-Azecinol, decahydro-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Azecinol, decahydro-1-methyl-
- 1-methylazecan-5-ol
- DTXSID80492262
- 61546-81-4
-
- Inchi： 1S/C10H21NO/c1-11-8-4-2-3-6-10(12)7-5-9-11/h10,12H,2-9H2,1H3
- InChI Key： RBVLHESHGFQNTD-UHFFFAOYSA-N
- SMILES： OC1CCCN(C)CCCCC1
Computed Properties
- Exact Mass: 171.16243
- Monoisotopic Mass: 171.162314293g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 116
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 23.5?2
Experimental Properties
- PSA: 23.47
5-Azecinol, decahydro-1-methyl- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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