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Home > Other Heterocycles > 100608-29-5
100608-29-5 | 2-phenyl-3-azabicyclo[3.2.1]octane
CAS No: 100608-29-5 Catalog No: AG01B90S MDL No:MFCD20673408
Product Description
Catalog Number:
AG01B90S
Chemical Name:
2-phenyl-3-azabicyclo[3.2.1]octane
CAS Number:
100608-29-5
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
MDL Number:
MFCD20673408
IUPAC Name:
2-phenyl-3-azabicyclo[3.2.1]octane
InChI:
InChI=1S/C13H17N/c1-2-4-11(5-3-1)13-12-7-6-10(8-12)9-14-13/h1-5,10,12-14H,6-9H2
InChI Key:
HJHHEIYVMSNIEB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1NCC2CC1CC2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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