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Home > Imidazoles > 131042-78-9
131042-78-9 | 1H-Imidazolium, 1,3-bis(tricyclo[3.3.1.13,7]dec-1-yl)-, chloride (1:1)
CAS No: 131042-78-9 Catalog No: AG000VG7 MDL No:MFCD03788919
Product Description
Catalog Number:
AG000VG7
Chemical Name:
1H-Imidazolium, 1,3-bis(tricyclo[3.3.1.13,7]dec-1-yl)-, chloride (1:1)
CAS Number:
131042-78-9
Molecular Formula:
C23H35ClN2
Molecular Weight:
374.9904
MDL Number:
MFCD03788919
IUPAC Name:
1,3-bis(1-adamantyl)imidazol-1-ium;chloride
InChI:
InChI=1S/C23H33N2.ClH/c1-2-25(23-12-19-6-20(13-23)8-21(7-19)14-23)15-24(1)22-9-16-3-17(10-22)5-18(4-16)11-22;/h1-2,15-21H,3-14H2;1H/q+1;/p-1
InChI Key:
PGYYVTILCOIEOP-UHFFFAOYSA-M
SMILES:
C1C2CC3CC1CC(C2)(C3)N1C=C[NH+](C1)C12CC3CC(C2)CC(C1)C3.[Cl-]
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.233g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.981g/mol
Monoisotopic Mass:
372.233g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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