Cas no 112698-34-7 (1-phenyl-2-(propylamino)ethanone)
112698-34-7 structure
Product Name:1-phenyl-2-(propylamino)ethanone
CAS No:112698-34-7
MF:C11H15NO
MW:177.242902994156
CID:2609338
PubChem ID:14234616
Update Time:2025-04-21
1-phenyl-2-(propylamino)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-phenyl-2-(propylamino)ethanone
- SCHEMBL11137757
- 112698-34-7
- DTXSID60557782
- 1-Phenyl-2-(propylamino)ethan-1-one
-
- Inchi: 1S/C11H15NO/c1-2-8-12-9-11(13)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
- InChI Key: PGUWGTZPBWTGCX-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC=CC=1)CNCCC
Computed Properties
- Exact Mass: 177.115364102Da
- Monoisotopic Mass: 177.115364102Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 150
- 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: 2.1
- Topological Polar Surface Area: 29.1?2
1-phenyl-2-(propylamino)ethanone Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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