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Home > Other Heterocycles > 1895192-29-6
1895192-29-6 | 1-phenyl-2-azabicyclo[2.1.1]hexane
CAS No: 1895192-29-6 Catalog No: AG01B79C MDL No:MFCD30345199
Product Description
Catalog Number:
AG01B79C
Chemical Name:
1-phenyl-2-azabicyclo[2.1.1]hexane
CAS Number:
1895192-29-6
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD30345199
IUPAC Name:
1-phenyl-2-azabicyclo[2.1.1]hexane
InChI:
InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-9(7-11)8-12-11/h1-5,9,12H,6-8H2
InChI Key:
XGNBBZIYJQLHAP-UHFFFAOYSA-N
SMILES:
C1NC2(CC1C2)c1ccccc1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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