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Home > Other Heterocycles > 83177-65-5
83177-65-5 | 3-Azabicyclo[3.1.0]hexane, 1-(4-ethylphenyl)-
CAS No: 83177-65-5 Catalog No: AG004VOQ MDL No:
Product Description
Catalog Number:
AG004VOQ
Chemical Name:
3-Azabicyclo[3.1.0]hexane, 1-(4-ethylphenyl)-
CAS Number:
83177-65-5
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
1-(4-ethylphenyl)-3-azabicyclo[3.1.0]hexane
InChI:
InChI=1S/C13H17N/c1-2-10-3-5-11(6-4-10)13-7-12(13)8-14-9-13/h3-6,12,14H,2,7-9H2,1H3
InChI Key:
JJFFHPXPLDPKAY-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C12CNCC2C1
Properties
Complexity:
217
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:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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