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Home > Other Heterocycles > 28936-94-9
28936-94-9 | 1,3,8-Triazaspiro[4.5]decane-2,4-dione, 8-(phenylmethyl)-
CAS No: 28936-94-9 Catalog No: AG002X48 MDL No:MFCD00793797
Product Description
Catalog Number:
AG002X48
Chemical Name:
1,3,8-Triazaspiro[4.5]decane-2,4-dione, 8-(phenylmethyl)-
CAS Number:
28936-94-9
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
MDL Number:
MFCD00793797
IUPAC Name:
8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
InChI:
InChI=1S/C14H17N3O2/c18-12-14(16-13(19)15-12)6-8-17(9-7-14)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,16,18,19)
InChI Key:
ISFXLJGTXHSNDU-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)NC21CCN(CC2)Cc1ccccc1
NSC Number:
167706
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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