Cas no 148139-97-3 (2-Propanone,1-[1-methyl-5-(2-oxopropyl)-2-pyrrolidinyl]-3-(1-methyl-2-pyrrolidinyl)-)
![2-Propanone,1-[1-methyl-5-(2-oxopropyl)-2-pyrrolidinyl]-3-(1-methyl-2-pyrrolidinyl)- structure](https://ossimg.kuujia.com/scimg/148500/148139-97-3x500.png)
148139-97-3 structure
Product Name:2-Propanone,1-[1-methyl-5-(2-oxopropyl)-2-pyrrolidinyl]-3-(1-methyl-2-pyrrolidinyl)-
CAS No:148139-97-3
MF:C16H28N2O2
MW:280.405724525452
CID:168647
PubChem ID:10265686
Update Time:2025-04-19
2-Propanone,1-[1-methyl-5-(2-oxopropyl)-2-pyrrolidinyl]-3-(1-methyl-2-pyrrolidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone,1-[1-methyl-5-(2-oxopropyl)-2-pyrrolidinyl]-3-(1-methyl-2-pyrrolidinyl)-
- Phygrine
- DTXSID501129800
- 1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one
- 148139-97-3
- 1-[1-Methyl-5-(2-oxopropyl)-2-pyrrolidinyl]-3-(1-methyl-2-pyrrolidinyl)-2-propanone
-
- Inchi： 1S/C16H28N2O2/c1-12(19)9-14-6-7-15(18(14)3)11-16(20)10-13-5-4-8-17(13)2/h13-15H,4-11H2,1-3H3
- InChI Key： UBFAEXSSMSJTQV-UHFFFAOYSA-N
- SMILES： O=C(CC1CCCN1C)CC1CCC(CC(C)=O)N1C
Computed Properties
- Exact Mass: 280.21524
- Monoisotopic Mass: 280.215078140g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 370
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 40.6?2
Experimental Properties
- PSA: 40.62
2-Propanone,1-[1-methyl-5-(2-oxopropyl)-2-pyrrolidinyl]-3-(1-methyl-2-pyrrolidinyl)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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