Cas no 74332-85-7 (3-Pentanone,2,2,4-trimethyl-1-(1-pyrrolidinyl)-)
74332-85-7 structure
Product Name:3-Pentanone,2,2,4-trimethyl-1-(1-pyrrolidinyl)-
CAS No:74332-85-7
MF:C12H23NO
MW:197.317123651505
CID:565487
PubChem ID:3057976
Update Time:2025-04-19
3-Pentanone,2,2,4-trimethyl-1-(1-pyrrolidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pentanone,2,2,4-trimethyl-1-(1-pyrrolidinyl)-
- 1-(3-Oxo-2,2,4-trimethylvaleryl)pyrrolidine
- DTXSID40995860
- Pyrrolidine, 1-(3-oxo-2,2,4-trimethylvaleryl)-
- 2,2,4-Trimethyl-1-(pyrrolidin-1-yl)pentan-3-one
- 74332-85-7
-
- Inchi： 1S/C12H23NO/c1-10(2)11(14)12(3,4)9-13-7-5-6-8-13/h10H,5-9H2,1-4H3
- InChI Key： NUXLHTUDXCZONN-UHFFFAOYSA-N
- SMILES： O=C(C(C)C)C(C)(C)CN1CCCC1
Computed Properties
- Exact Mass: 211.157
- Monoisotopic Mass: 211.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 263
- 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: 2.4
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- Density: 0.922
- Boiling Point: 272.1°C at 760 mmHg
- Flash Point: 83.6°C
- Refractive Index: 1.464
3-Pentanone,2,2,4-trimethyl-1-(1-pyrrolidinyl)- Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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