Cas no 6937-27-5 (Nsc41624)
Nsc41624 structure
Product Name:Nsc41624
CAS No:6937-27-5
MF:C20H36IN
MW:417.411018371582
CID:1737257
PubChem ID:24185666
Update Time:2025-04-21
Nsc41624 Chemical and Physical Properties
Names and Identifiers
-
- NSC41624
- 2ξ-decyl-2ξ-methyl-(3ac,7ac)-1,3,3a,4,7,7a-hexahydro-4r,7c-methano-isoindolium, iodide
- 6937-27-5
- NSC-41624
- DTXSID30637126
- 2-Decyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindol-2-ium iodide
- Nsc41624
-
- Inchi： 1S/C20H36N.HI/c1-3-4-5-6-7-8-9-10-13-21(2)15-19-17-11-12-18(14-17)20(19)16-21;/h11-12,17-20H,3-10,13-16H2,1-2H3;1H/q+1;/p-1
- InChI Key： GVVHELWPZRHFPU-UHFFFAOYSA-M
- SMILES： [I-].[N+]1(C)(CCCCCCCCCC)CC2C3C=CC(C3)C2C1
Computed Properties
- Exact Mass: 290.28498
- Monoisotopic Mass: 417.189
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 9
- Complexity: 339
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0A^2
Experimental Properties
- PSA: 0
- LogP: 1.98840
Nsc41624 Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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