Cas no 2021-19-4 (2-butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione)
2021-19-4 structure
Product Name:2-butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CAS No:2021-19-4
MF:C12H17NO2
MW:207.268883466721
CID:909287
PubChem ID:95074
Update Time:2025-04-19
2-butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione Chemical and Physical Properties
Names and Identifiers
-
- 2-butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
- 2-butyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
- 1H-Isoindole-1,3(2H)-dione, N-butyl-3a,4,7,7a-tetrahydro-
- 2-butyl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione
- 4-Cyclohexene-1, N-butyl-
- 4-Cyclohexene-1,2-dicarboximide, N-butyl-
- AI3-04145
- N-Butyl-1,2,3,6-tetrahydronaphthalimide
- WLN: T56 BVNV GUTJ C4
- NSC69968
- NSC 69968
- N-Butyl-1,3,6-tetrahydronaphthalimide
- DTXSID30942287
- NSC-69968
- SCHEMBL13606476
- NSC-16066
- 1H-Isoindole-1,3(2H)-dione, 2-butyl-3a,4,7,7a-tetrahydro-
- 1H-Isoindole-1, 2-butyl-3a,4,7,7a-tetrahydro-
- NSC16066
- N-butyl-1,2,3,6-tetrahydrophthalimide
- 2021-19-4
- NSC 16066
-
- Inchi： 1S/C12H17NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-5,9-10H,2-3,6-8H2,1H3
- InChI Key： HZZBHUQGZJXCEV-UHFFFAOYSA-N
- SMILES： O=C1C2CC=CCC2C(N1CCCC)=O
Computed Properties
- Exact Mass: 207.12601
- Monoisotopic Mass: 207.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 283
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 37.4?2
Experimental Properties
- Density: 1.0681 (rough estimate)
- Boiling Point: 346.3°C (rough estimate)
- Refractive Index: 1.5220 (estimate)
- PSA: 37.38
- LogP: 1.67560
2-butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione Related Literature
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
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
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
2021-19-4 (2-butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione) Related Products
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