Cas no 61546-92-7 (5(2H)-Azecinone, octahydro-1-methyl-)
61546-92-7 structure
Product Name:5(2H)-Azecinone, octahydro-1-methyl-
CAS No:61546-92-7
MF:C10H19NO
MW:169.263962984085
CID:475367
PubChem ID:12342737
Update Time:2025-04-19
5(2H)-Azecinone, octahydro-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5(2H)-Azecinone, octahydro-1-methyl-
- 1-methylazecan-5-one
- 61546-92-7
- DTXSID50492259
-
- Inchi: 1S/C10H19NO/c1-11-8-4-2-3-6-10(12)7-5-9-11/h2-9H2,1H3
- InChI Key: FJQRYFLLHBBCAK-UHFFFAOYSA-N
- SMILES: O=C1CCCN(C)CCCCC1
Computed Properties
- Exact Mass: 169.14677
- Monoisotopic Mass: 169.146664230g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 145
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
5(2H)-Azecinone, octahydro-1-methyl- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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