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Home > Other Heterocycles > 561314-56-5
561314-56-5 | 2,4,9-triazaspiro[5.5]undecan-3-one
CAS No: 561314-56-5 Catalog No: AG01EJ4N MDL No:MFCD20668380
Product Description
Catalog Number:
AG01EJ4N
Chemical Name:
2,4,9-triazaspiro[5.5]undecan-3-one
CAS Number:
561314-56-5
Molecular Formula:
C8H15N3O
Molecular Weight:
169.2242
MDL Number:
MFCD20668380
IUPAC Name:
2,4,9-triazaspiro[5.5]undecan-3-one
InChI:
InChI=1S/C8H15N3O/c12-7-10-5-8(6-11-7)1-3-9-4-2-8/h9H,1-6H2,(H2,10,11,12)
InChI Key:
WASNZWYTDZEYJN-UHFFFAOYSA-N
SMILES:
O=C1NCC2(CN1)CCNCC2
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.122g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
169.228g/mol
Monoisotopic Mass:
169.122g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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