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Home > Other Heterocycles > 1273998-97-2
1273998-97-2 | 4-{2-azabicyclo[2.2.1]heptan-2-yl}aniline
CAS No: 1273998-97-2 Catalog No: AG01BDL3 MDL No:MFCD14693866
Product Description
Catalog Number:
AG01BDL3
Chemical Name:
4-{2-azabicyclo[2.2.1]heptan-2-yl}aniline
CAS Number:
1273998-97-2
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
MDL Number:
MFCD14693866
IUPAC Name:
4-(2-azabicyclo[2.2.1]heptan-2-yl)aniline
InChI:
InChI=1S/C12H16N2/c13-10-2-5-11(6-3-10)14-8-9-1-4-12(14)7-9/h2-3,5-6,9,12H,1,4,7-8,13H2
InChI Key:
YJFOBEWVVJIYKY-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)N1CC2CC1CC2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.274g/mol
Monoisotopic Mass:
188.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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