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Home > Other Heterocycles > 79139-61-0
79139-61-0 | 4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CAS No: 79139-61-0 Catalog No: AG01DD0O MDL No:
Product Description
Catalog Number:
AG01DD0O
Chemical Name:
4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CAS Number:
79139-61-0
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
IUPAC Name:
4-phenyl-2,8-diazaspiro[4.5]decan-1-one
InChI:
InChI=1S/C14H18N2O/c17-13-14(6-8-15-9-7-14)12(10-16-13)11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,16,17)
InChI Key:
HQXCWUWCXHNQKU-UHFFFAOYSA-N
SMILES:
O=C1NCC(C21CCNCC2)c1ccccc1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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