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Home > Pyridines > 1422068-46-9
1422068-46-9 | 11-(pyridin-3-ylmethyl)-1,8-dioxa-4,11-diazaspiro[5.6]dodecane
CAS No: 1422068-46-9 Catalog No: AG01DI3W MDL No:
Product Description
Catalog Number:
AG01DI3W
Chemical Name:
11-(pyridin-3-ylmethyl)-1,8-dioxa-4,11-diazaspiro[5.6]dodecane
CAS Number:
1422068-46-9
Molecular Formula:
C14H21N3O2
Molecular Weight:
263.3354
IUPAC Name:
8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
InChI:
InChI=1S/C14H21N3O2/c1-2-13(8-15-3-1)9-17-5-7-18-12-14(11-17)10-16-4-6-19-14/h1-3,8,16H,4-7,9-12H2
InChI Key:
BHHMCPWLCWZRBY-UHFFFAOYSA-N
SMILES:
C1COC2(CN1)COCCN(C2)Cc1cccnc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.341g/mol
Monoisotopic Mass:
263.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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