Cas no 159418-52-7 (3-Pentanone, 2-[bis(phenylmethyl)amino]-, (2S)-)
![3-Pentanone, 2-[bis(phenylmethyl)amino]-, (2S)- structure](https://ossimg.kuujia.com/scimg/159500/159418-52-7x500.png)
159418-52-7 structure
Product Name:3-Pentanone, 2-[bis(phenylmethyl)amino]-, (2S)-
CAS No:159418-52-7
MF:C19H23NO
MW:281.392025232315
CID:1338535
PubChem ID:11076876
Update Time:2025-04-20
3-Pentanone, 2-[bis(phenylmethyl)amino]-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- (2S)-2-(dibenzylamino)pentan-3-one
- 3-Pentanone, 2-[bis(phenylmethyl)amino]-, (2S)-
- 159418-52-7
- DTXSID90454412
-
- Inchi： 1S/C19H23NO/c1-3-19(21)16(2)20(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,16H,3,14-15H2,1-2H3/t16-/m0/s1
- InChI Key： UKVUEMGFUIBIOO-INIZCTEOSA-N
- SMILES： O=C(CC)[C@H](C)N(CC1C=CC=CC=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 281.17809
- Monoisotopic Mass: 281.177964357g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 283
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
3-Pentanone, 2-[bis(phenylmethyl)amino]-, (2S)- 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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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