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Home > Other Heterocycles > 870889-31-9
870889-31-9 | 1-Naphthalenecarbonitrile, 4-(8-azaspiro[4.5]dec-8-yl)-
CAS No: 870889-31-9 Catalog No: AG004P7M MDL No:
Product Description
Catalog Number:
AG004P7M
Chemical Name:
1-Naphthalenecarbonitrile, 4-(8-azaspiro[4.5]dec-8-yl)-
CAS Number:
870889-31-9
Molecular Formula:
C20H22N2
Molecular Weight:
290.4021
IUPAC Name:
4-(8-azaspiro[4.5]decan-8-yl)naphthalene-1-carbonitrile
InChI:
InChI=1S/C20H22N2/c21-15-16-7-8-19(18-6-2-1-5-17(16)18)22-13-11-20(12-14-22)9-3-4-10-20/h1-2,5-8H,3-4,9-14H2
InChI Key:
QKRYHECGCKULCN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cccc2)N1CCC2(CC1)CCCC2
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.178g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.41g/mol
Monoisotopic Mass:
290.178g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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