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Home > Other Heterocycles > 85675-03-2
85675-03-2 | 2-Azaspiro[5.5]undec-8-ene, 2-[(hexahydro-1H-azepin-1-yl)carbonyl]-
CAS No: 85675-03-2 Catalog No: AG004Q66 MDL No:
Product Description
Catalog Number:
AG004Q66
Chemical Name:
2-Azaspiro[5.5]undec-8-ene, 2-[(hexahydro-1H-azepin-1-yl)carbonyl]-
CAS Number:
85675-03-2
Molecular Formula:
C17H28N2O
Molecular Weight:
276.4170
IUPAC Name:
2-azaspiro[5.5]undec-9-en-2-yl(azepan-1-yl)methanone
InChI:
InChI=1S/C17H28N2O/c20-16(18-12-6-1-2-7-13-18)19-14-8-11-17(15-19)9-4-3-5-10-17/h3-4H,1-2,5-15H2
InChI Key:
ZUMBESIKSWXECS-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC2(C1)CCC=CC2)N1CCCCCC1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.22g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.424g/mol
Monoisotopic Mass:
276.22g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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