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Home > Pyridines > 1422135-80-5
1422135-80-5 | 2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CAS No: 1422135-80-5 Catalog No: AG01DKFF MDL No:
Product Description
Catalog Number:
AG01DKFF
Chemical Name:
2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CAS Number:
1422135-80-5
Molecular Formula:
C13H17N3O
Molecular Weight:
231.2936
IUPAC Name:
2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
InChI:
InChI=1S/C13H17N3O/c17-12-13(3-6-15-10-13)4-7-16(12)9-11-2-1-5-14-8-11/h1-2,5,8,15H,3-4,6-7,9-10H2
InChI Key:
HMQFMPNKVSETJP-UHFFFAOYSA-N
SMILES:
O=C1N(CCC21CNCC2)Cc1cccnc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.299g/mol
Monoisotopic Mass:
231.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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