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Home > Other Heterocycles > 86215-71-6
86215-71-6 | 3-Azabicyclo[3.1.0]hexane, 1-[4-(1,1-dimethylethyl)phenyl]-
CAS No: 86215-71-6 Catalog No: AG004NH4 MDL No:
Product Description
Catalog Number:
AG004NH4
Chemical Name:
3-Azabicyclo[3.1.0]hexane, 1-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
86215-71-6
Molecular Formula:
C15H21N
Molecular Weight:
215.3339
IUPAC Name:
1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane
InChI:
InChI=1S/C15H21N/c1-14(2,3)11-4-6-12(7-5-11)15-8-13(15)9-16-10-15/h4-7,13,16H,8-10H2,1-3H3
InChI Key:
NTDJTIBQBYFKLA-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C12CNCC2C1)(C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.34g/mol
Monoisotopic Mass:
215.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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