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Home > Other Heterocycles > 86215-95-4
86215-95-4 | 3-Azabicyclo[3.1.0]hexane, 1-[4-(1-methylethoxy)phenyl]-
CAS No: 86215-95-4 Catalog No: AG004K2C MDL No:
Product Description
Catalog Number:
AG004K2C
Chemical Name:
3-Azabicyclo[3.1.0]hexane, 1-[4-(1-methylethoxy)phenyl]-
CAS Number:
86215-95-4
Molecular Formula:
C14H19NO
Molecular Weight:
217.3068
IUPAC Name:
1-(4-propan-2-yloxyphenyl)-3-azabicyclo[3.1.0]hexane
InChI:
InChI=1S/C14H19NO/c1-10(2)16-13-5-3-11(4-6-13)14-7-12(14)8-15-9-14/h3-6,10,12,15H,7-9H2,1-2H3
InChI Key:
NZWHBTDNPUZUII-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)C12CNCC2C1)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.312g/mol
Monoisotopic Mass:
217.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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