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Home > Other Heterocycles > 1023-87-6
1023-87-6 | 1,3,8-Triazaspiro[4.5]decan-4-one, 1-(4-methylphenyl)-
CAS No: 1023-87-6 Catalog No: AG00075S MDL No:
Product Description
Catalog Number:
AG00075S
Chemical Name:
1,3,8-Triazaspiro[4.5]decan-4-one, 1-(4-methylphenyl)-
CAS Number:
1023-87-6
Molecular Formula:
C14H19N3O
Molecular Weight:
245.3202
IUPAC Name:
1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one
InChI:
InChI=1S/C14H19N3O/c1-11-2-4-12(5-3-11)17-10-16-13(18)14(17)6-8-15-9-7-14/h2-5,15H,6-10H2,1H3,(H,16,18)
InChI Key:
FKTLPANFGXXTMF-UHFFFAOYSA-N
SMILES:
O=C1NCN(C21CCNCC2)c1ccc(cc1)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.153g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.326g/mol
Monoisotopic Mass:
245.153g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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