Cas no 58122-02-4 (1-Propanone, 3-[4-(dimethylamino)phenyl]-1-phenyl-)
![1-Propanone, 3-[4-(dimethylamino)phenyl]-1-phenyl- structure](https://ossimg.kuujia.com/scimg/58500/58122-02-4x500.png)
58122-02-4 structure
Product Name:1-Propanone, 3-[4-(dimethylamino)phenyl]-1-phenyl-
CAS No:58122-02-4
MF:C17H19NO
MW:253.338864564896
CID:343042
PubChem ID:3528073
Update Time:2025-04-19
1-Propanone, 3-[4-(dimethylamino)phenyl]-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone, 3-[4-(dimethylamino)phenyl]-1-phenyl-
- 3-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one
- 58122-02-4
- DTXSID60393344
-
- Inchi： 1S/C17H19NO/c1-18(2)16-11-8-14(9-12-16)10-13-17(19)15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3
- InChI Key： KAPDOSXLBGGRBD-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)CCC1C=CC(=CC=1)N(C)C
Computed Properties
- Exact Mass: 253.14677
- Monoisotopic Mass: 253.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 273
- 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: 3.6
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
1-Propanone, 3-[4-(dimethylamino)phenyl]-1-phenyl- Related Literature
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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