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Home > Imidazoles > 2044744-69-4
2044744-69-4 | 1-(1H-imidazol-2-yl)-2-azabicyclo[2.1.1]hexane
CAS No: 2044744-69-4 Catalog No: AG01BV6S MDL No:MFCD30476290
Product Description
Catalog Number:
AG01BV6S
Chemical Name:
1-(1H-imidazol-2-yl)-2-azabicyclo[2.1.1]hexane
CAS Number:
2044744-69-4
Molecular Formula:
C8H11N3
Molecular Weight:
149.1930
MDL Number:
MFCD30476290
IUPAC Name:
1-(1H-imidazol-2-yl)-2-azabicyclo[2.1.1]hexane
InChI:
InChI=1S/C8H11N3/c1-2-10-7(9-1)8-3-6(4-8)5-11-8/h1-2,6,11H,3-5H2,(H,9,10)
InChI Key:
FNBDVFPVBSAAGM-UHFFFAOYSA-N
SMILES:
c1cnc([nH]1)C12NCC(C1)C2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
149.197g/mol
Monoisotopic Mass:
149.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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