Cas no 13918-00-8 (3-Pyrrolidinone, 1,2,2-trimethyl-5-phenyl-)
13918-00-8 structure
Product Name:3-Pyrrolidinone, 1,2,2-trimethyl-5-phenyl-
CAS No:13918-00-8
MF:C13H17NO
MW:203.280183553696
CID:1272963
PubChem ID:6420665
Update Time:2025-04-20
3-Pyrrolidinone, 1,2,2-trimethyl-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyrrolidinone, 1,2,2-trimethyl-5-phenyl-
- 1,2,2-trimethyl-5-phenylpyrrolidin-3-one
- UCUDTEQUMMNXBM-UHFFFAOYSA-N
- 13918-00-8
- DTXSID90423582
-
- Inchi： 1S/C13H17NO/c1-13(2)12(15)9-11(14(13)3)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
- InChI Key： UCUDTEQUMMNXBM-UHFFFAOYSA-N
- SMILES： O=C1CC(C2C=CC=CC=2)N(C)C1(C)C
Computed Properties
- Exact Mass: 203.13111
- Monoisotopic Mass: 203.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 253
- 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: 1.9
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
3-Pyrrolidinone, 1,2,2-trimethyl-5-phenyl- Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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