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Home > Other Heterocycles > 909397-06-4
909397-06-4 | 3-Azabicyclo[3.1.0]hexane, 1-(4-methylphenyl)-3-(2-methylpropyl)-
CAS No: 909397-06-4 Catalog No: AG006GDE MDL No:
Product Description
Catalog Number:
AG006GDE
Chemical Name:
3-Azabicyclo[3.1.0]hexane, 1-(4-methylphenyl)-3-(2-methylpropyl)-
CAS Number:
909397-06-4
Molecular Formula:
C16H23N
Molecular Weight:
229.3605
IUPAC Name:
1-(4-methylphenyl)-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane
InChI:
InChI=1S/C16H23N/c1-12(2)9-17-10-15-8-16(15,11-17)14-6-4-13(3)5-7-14/h4-7,12,15H,8-11H2,1-3H3
InChI Key:
JBDUPEWFFKJOOS-UHFFFAOYSA-N
SMILES:
CC(CN1CC2C(C1)(C2)c1ccc(cc1)C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.367g/mol
Monoisotopic Mass:
229.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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