Cas no 87401-50-1 (1H-Isoindole, octahydro-2,5-dimethyl-)
87401-50-1 structure
Product Name:1H-Isoindole, octahydro-2,5-dimethyl-
CAS No:87401-50-1
MF:C10H19N
MW:153.26456284523
CID:656707
PubChem ID:71412935
Update Time:2025-04-19
1H-Isoindole, octahydro-2,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Isoindole, octahydro-2,5-dimethyl-
- 2,5-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
- 87401-50-1
- SCHEMBL20031296
- 2,5-Dimethyloctahydro-1H-isoindole
- DTXSID40832468
-
- Inchi： 1S/C10H19N/c1-8-3-4-9-6-11(2)7-10(9)5-8/h8-10H,3-7H2,1-2H3
- InChI Key： IBOSKFPZXWJOHC-UHFFFAOYSA-N
- SMILES： N1(C)CC2CCC(C)CC2C1
Computed Properties
- Exact Mass: 153.151749610g/mol
- Monoisotopic Mass: 153.151749610g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 144
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 3.2?2
1H-Isoindole, octahydro-2,5-dimethyl- Related Literature
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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
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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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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