CAS
63954-77-8 Purity
96%
63954-77-8 Purity
96%
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1-(1-Adamantyl)-3-(2,4,6-trimethylphenyl)imidazolinium chloride
CAS
639820-61-4
Catalog Number
ACM639820614
Category
Other Products
Molecular Weight
358.95
Molecular Formula
C22H31ClN2
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Specification
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
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
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