Cas no 1253654-23-7 (5-(2-Aminoethyl)-1-benzylpyrrolidin-2-one)
1253654-23-7 structure
Product Name:5-(2-Aminoethyl)-1-benzylpyrrolidin-2-one
CAS No:1253654-23-7
MF:C13H18N2O
MW:218.294823169708
CID:1082869
PubChem ID:53415041
Update Time:2025-04-20
5-(2-Aminoethyl)-1-benzylpyrrolidin-2-one Chemical and Physical Properties
Names and Identifiers
-
- 5-(2-Aminoethyl)-1-benzylpyrrolidin-2-one
- 5-(2-aminoethyl)-1-(phenylmethyl)-2-Pyrrolidinone
- MFCD16249833
- 5-(2-Amino-ethyl)-1-benzyl-pyrrolidin-2-one
- DA-19390
- DB-032157
- 1253654-23-7
-
- Inchi: 1S/C13H18N2O/c14-9-8-12-6-7-13(16)15(12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2
- InChI Key: GXOXJYBZFHUQJL-UHFFFAOYSA-N
- SMILES: O=C1CCC(CCN)N1CC1C=CC=CC=1
Computed Properties
- Exact Mass: 218.141913202g/mol
- Monoisotopic Mass: 218.141913202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 236
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 46.3?2
5-(2-Aminoethyl)-1-benzylpyrrolidin-2-one Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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