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77139-82-3 | 1H-Imidazole,1-methyl-2-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No: 77139-82-3 Catalog No: AG005DV4 MDL No:
Product Description
Catalog Number:
AG005DV4
Chemical Name:
1H-Imidazole,1-methyl-2-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number:
77139-82-3
Molecular Formula:
C14H20N2
Molecular Weight:
216.3220
IUPAC Name:
2-(1-adamantyl)-1-methylimidazole
InChI:
InChI=1S/C14H20N2/c1-16-3-2-15-13(16)14-7-10-4-11(8-14)6-12(5-10)9-14/h2-3,10-12H,4-9H2,1H3
InChI Key:
CBRRJMLAAUIMIX-UHFFFAOYSA-N
SMILES:
Cn1ccnc1C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.328g/mol
Monoisotopic Mass:
216.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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