Cas no 101258-88-2 (2-Heptanone,7-(methylamino)-)
2-Heptanone,7-(methylamino)- structure
Product Name:2-Heptanone,7-(methylamino)-
CAS No:101258-88-2
MF:C8H17NO
MW:143.226682424545
CID:124593
PubChem ID:15881000
Update Time:2025-04-18
2-Heptanone,7-(methylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptanone,7-(methylamino)-
- 2-Heptanone, 7-(methylamino)- (6CI,9CI)
- 101258-88-2
- SCHEMBL11303506
- AKOS006346882
- 7-(methylamino)heptan-2-one
-
- Inchi： 1S/C8H17NO/c1-8(10)6-4-3-5-7-9-2/h9H,3-7H2,1-2H3
- InChI Key： XOSGHQJJFLJGBF-UHFFFAOYSA-N
- SMILES： O=C(C)CCCCCNC
Computed Properties
- Exact Mass: 143.13111
- Monoisotopic Mass: 143.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 91.3
- 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: 0.5
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
- LogP: 1.74610
2-Heptanone,7-(methylamino)- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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