Cas no 87993-10-0 (Isoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-(phenylmethyl)-, iodide)
87993-10-0 structure
Product Name:Isoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-(phenylmethyl)-, iodide
CAS No:87993-10-0
MF:C17H20IN
MW:365.251876831055
CID:649211
PubChem ID:13211620
Update Time:2025-04-19
Isoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-(phenylmethyl)-, iodide Chemical and Physical Properties
Names and Identifiers
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- Isoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-(phenylmethyl)-, iodide
- 2-benzyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium,iodide
- DTXSID40528258
- 87993-10-0
- 2-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium iodide
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- Inchi： 1S/C17H20N.HI/c1-18(13-15-7-3-2-4-8-15)12-11-16-9-5-6-10-17(16)14-18;/h2-10H,11-14H2,1H3;1H/q+1;/p-1
- InChI Key： GXCPUKCAOWJOLE-UHFFFAOYSA-M
- SMILES： [I-].[N+]1(C)(CC2C=CC=CC=2)CC2C=CC=CC=2CC1
Computed Properties
- Exact Mass: 365.06405g/mol
- Monoisotopic Mass: 365.06405g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 269
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0?2
Isoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-(phenylmethyl)-, iodide Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
87993-10-0 (Isoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-(phenylmethyl)-, iodide) Related Products
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