Cas no 94333-40-1 (1-Pentanone,2,4-dimethyl-2-(2-methylpropyl)-1-(1-pyrrolidinyl)-)
94333-40-1 structure
Product Name:1-Pentanone,2,4-dimethyl-2-(2-methylpropyl)-1-(1-pyrrolidinyl)-
CAS No:94333-40-1
MF:C15H29NO
MW:239.396864652634
CID:811163
PubChem ID:3024318
Update Time:2025-04-19
1-Pentanone,2,4-dimethyl-2-(2-methylpropyl)-1-(1-pyrrolidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanone,2,4-dimethyl-2-(2-methylpropyl)-1-(1-pyrrolidinyl)-
- 1-[2,4-dimethyl-2-(isobutyl)-1-oxopentyl]pyrrolidine
- 2,4-dimethyl-2-(2-methylpropyl)-1-pyrrolidin-1-ylpentan-1-one
- DTXSID10241427
- 1-(2,4-Dimethyl-2-(isobutyl)-1-oxopentyl)pyrrolidine
- NS00040387
- EINECS 305-018-5
- 94333-40-1
-
- Inchi： 1S/C15H29NO/c1-12(2)10-15(5,11-13(3)4)14(17)16-8-6-7-9-16/h12-13H,6-11H2,1-5H3
- InChI Key： LMXPSAJVSIPGBP-UHFFFAOYSA-N
- SMILES： O=C(C(C)(CC(C)C)CC(C)C)N1CCCC1
Computed Properties
- Exact Mass: 239.224915
- Monoisotopic Mass: 239.224915
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 242
- 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
- Topological Polar Surface Area: 20.3
- XLogP3: 3.9
Experimental Properties
- Density: 0.919
- Boiling Point: 338.2°Cat760mmHg
- Flash Point: 139.5°C
- Refractive Index: 1.471
1-Pentanone,2,4-dimethyl-2-(2-methylpropyl)-1-(1-pyrrolidinyl)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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