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Home > Pyridines > 1422062-34-7
1422062-34-7 | 4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CAS No: 1422062-34-7 Catalog No: AG01DI12 MDL No:
Product Description
Catalog Number:
AG01DI12
Chemical Name:
4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CAS Number:
1422062-34-7
Molecular Formula:
C14H19N3O2
Molecular Weight:
261.3196
IUPAC Name:
4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
InChI:
InChI=1S/C14H19N3O2/c18-13-10-19-14(3-6-15-7-4-14)11-17(13)9-12-2-1-5-16-8-12/h1-2,5,8,15H,3-4,6-7,9-11H2
InChI Key:
IHBMUJBTNHTKGB-UHFFFAOYSA-N
SMILES:
O=C1COC2(CN1Cc1cccnc1)CCNCC2
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.148g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.325g/mol
Monoisotopic Mass:
261.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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