Cas no 72185-47-8 (1-Pyrenemethanaminium, N,N,N-trimethyl-, iodide)
72185-47-8 structure
Product Name:1-Pyrenemethanaminium, N,N,N-trimethyl-, iodide
CAS No:72185-47-8
MF:C20H20IN
MW:401.283977508545
CID:544396
PubChem ID:19973849
Update Time:2025-04-19
1-Pyrenemethanaminium, N,N,N-trimethyl-, iodide Chemical and Physical Properties
Names and Identifiers
-
- 1-Pyrenemethanaminium, N,N,N-trimethyl-, iodide
- trimethyl(pyren-1-ylmethyl)azanium,iodide
- DTXSID40601595
- 72185-47-8
- N,N,N-Trimethyl(pyren-1-yl)methanaminium iodide
- SCHEMBL4633095
-
- Inchi： 1S/C20H20N.HI/c1-21(2,3)13-17-10-9-16-8-7-14-5-4-6-15-11-12-18(17)20(16)19(14)15;/h4-12H,13H2,1-3H3;1H/q+1;/p-1
- InChI Key： KXLZBPKDSSUIJN-UHFFFAOYSA-M
- SMILES： [I-].[N+](C)(C)(C)CC1C=CC2=CC=C3C=CC=C4C=CC=1C2=C43
Computed Properties
- Exact Mass: 380.9071
- Monoisotopic Mass: 401.06405g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 382
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
1-Pyrenemethanaminium, N,N,N-trimethyl-, iodide Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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