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Home > Other Heterocycles > 86216-13-9
86216-13-9 | 3-Azabicyclo[3.1.0]hexane, 3-ethyl-1-(4-methylphenyl)-
CAS No: 86216-13-9 Catalog No: AG004K2B MDL No:
Product Description
Catalog Number:
AG004K2B
Chemical Name:
3-Azabicyclo[3.1.0]hexane, 3-ethyl-1-(4-methylphenyl)-
CAS Number:
86216-13-9
Molecular Formula:
C14H19N
Molecular Weight:
201.3074
IUPAC Name:
3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
InChI:
InChI=1S/C14H19N/c1-3-15-9-13-8-14(13,10-15)12-6-4-11(2)5-7-12/h4-7,13H,3,8-10H2,1-2H3
InChI Key:
IJPSTDWTKHUTHO-UHFFFAOYSA-N
SMILES:
CCN1CC2C(C1)(C2)c1ccc(cc1)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.313g/mol
Monoisotopic Mass:
201.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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