Cas no 6103-98-6 (2-Pyrrolidinone,3-(benzylamino)-5-methyl-1-phenyl-, trans- (8CI))
6103-98-6 structure
Product Name:2-Pyrrolidinone,3-(benzylamino)-5-methyl-1-phenyl-, trans- (8CI)
CAS No:6103-98-6
MF:C15H21NO
MW:231.333344221115
CID:526922
PubChem ID:873576
Update Time:2025-04-19
2-Pyrrolidinone,3-(benzylamino)-5-methyl-1-phenyl-, trans- (8CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Pyrrolidinone,3-(benzylamino)-5-methyl-1-phenyl-, trans- (8CI)
- cyclohexanecarboxamide, N-(3,5-dimethylphenyl)-
-
- Inchi： 1S/C15H21NO/c1-11-8-12(2)10-14(9-11)16-15(17)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,16,17)
- InChI Key： ULQXNYQPJGIWAO-UHFFFAOYSA-N
- SMILES： O=C(C1CCCCC1)NC1C=C(C)C=C(C)C=1
Computed Properties
- Exact Mass: 231.16243
- Monoisotopic Mass: 231.162314293g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 248
- 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: 3.9
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
2-Pyrrolidinone,3-(benzylamino)-5-methyl-1-phenyl-, trans- (8CI) Related Literature
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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