1-(1-Adamantyl)-3-(2,4,6-trimethylphenyl)imidazolinium chloride

• Catalog Number: ACM639820614
• Product Name: 1-(1-Adamantyl)-3-(2,4,6-trimethylphenyl)imidazolinium chloride
• CAS: 639820-61-4
• Category: Heterocyclic Organic Compound
• Synonyms: 1-(1-Adamantyl)-3-(2,4,6-trimethylphenyl)imidazolinium chloride;639820-61-4;SCHEMBL819401;CTK8F2608;DTXSID90584788;1-(1-Adamantyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium chloride;3-(Tricyclo[3.3.1.1~3,7~]decan-1-yl)-1-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride
• IUPAC Name: 1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;chloride
• Molecular Weight: 358.95
• Molecular Formula: C22H31ClN2
• Canonical SMILES: CC1=CC(=C(C(=C1)C)N2CC[N+](=C2)C34CC5CC(C3)CC(C5)C4)C.[Cl-]
• InChI: InChI=1S/C22H31N2.ClH/c1-15-6-16(2)21(17(3)7-15)23-4-5-24(14-23)22-11-18-8-19(12-22)10-20(9-18)13-22;/h6-7,14,18-20H,4-5,8-13H2,1-3H3;1H/q+1;/p-1
• InChI Key: MJOMRTQWLPXDJQ-UHFFFAOYSA-M
• Complexity: 483
• Covalently-Bonded Unit Count: 2
• Exact Mass: 358.21800
• H-Bond Acceptor: 1
• Heavy Atom Count: 25
• Monoisotopic Mass: 358.218g/mol
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 6.2A^2