Cas no 6309-69-9 (Nsc41616)
Nsc41616 structure
Product Name:Nsc41616
CAS No:6309-69-9
MF:C16H30IN2
MW:377.327276706696
CID:1644782
PubChem ID:24185658
Update Time:2025-04-21
Nsc41616 Chemical and Physical Properties
Names and Identifiers
-
- NSC41616
- 2ξ-methyl-2ξ-(3-trimethylammonio-propyl)-(3ac,7ac)-1,3,3a,4,7,7a-hexahydro-4r,7c-methano-isoindolium, diiodide
- 6309-69-9
- NSC-41616
- trimethyl-[3-(4-methyl-4-azoniatricyclo[5.2.1.02,6]dec-8-en-4-yl)propyl]azanium;iodide
- DTXSID70637120
- Nsc41616
-
- Inchi： 1S/C16H30N2.HI/c1-17(2,3)8-5-9-18(4)11-15-13-6-7-14(10-13)16(15)12-18;/h6-7,13-16H,5,8-12H2,1-4H3;1H/q+2;/p-1
- InChI Key： PNNXHGSLCSQHIX-UHFFFAOYSA-M
- SMILES： [I-].[N+]1(C)(CCC[N+](C)(C)C)CC2C3C=CC(C3)C2C1
Computed Properties
- Exact Mass: 250.2411
- Monoisotopic Mass: 377.14537g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 333
- 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: 0?2
Experimental Properties
- PSA: 0
- LogP: -1.05600
Nsc41616 Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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