Cas no 89434-20-8 (2-Heptanone, 1-(dibutylamino)-)
89434-20-8 structure
Product Name:2-Heptanone, 1-(dibutylamino)-
CAS No:89434-20-8
MF:C15H31NO
MW:241.412744760513
CID:600995
PubChem ID:71324155
Update Time:2025-04-19
2-Heptanone, 1-(dibutylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptanone, 1-(dibutylamino)-
- 1-(dibutylamino)heptan-2-one
- DTXSID90753659
- 89434-20-8
-
- Inchi: 1S/C15H31NO/c1-4-7-10-11-15(17)14-16(12-8-5-2)13-9-6-3/h4-14H2,1-3H3
- InChI Key: SYHPKPICTPEFII-UHFFFAOYSA-N
- SMILES: O=C(CCCCC)CN(CCCC)CCCC
Computed Properties
- Exact Mass: 241.240564612g/mol
- Monoisotopic Mass: 241.240564612g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 12
- Complexity: 172
- 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: 4.4
- Topological Polar Surface Area: 20.3?2
2-Heptanone, 1-(dibutylamino)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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