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Home > Imidazoles > 52725-79-8
52725-79-8 | 2-(1-ADAMANTYL)-4,5-DIHYDRO-1H-IMIDAZOLE
CAS No: 52725-79-8 Catalog No: AG01AQ4S MDL No:MFCD02982102
Product Description
Catalog Number:
AG01AQ4S
Chemical Name:
2-(1-ADAMANTYL)-4,5-DIHYDRO-1H-IMIDAZOLE
CAS Number:
52725-79-8
Molecular Formula:
C13H20N2
Molecular Weight:
204.3113
MDL Number:
MFCD02982102
IUPAC Name:
2-(1-adamantyl)-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C13H20N2/c1-2-15-12(14-1)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H,14,15)
InChI Key:
ULJRIIBCZFQSPF-UHFFFAOYSA-N
SMILES:
C1CN=C(N1)[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.163g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.317g/mol
Monoisotopic Mass:
204.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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