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89044-92-8 | 1,5-Diazocin-2(1H)-one, hexahydro-8-methyl-4-phenyl-, cis-
CAS No: 89044-92-8 Catalog No: AG0043B1 MDL No:
Product Description
Catalog Number:
AG0043B1
Chemical Name:
1,5-Diazocin-2(1H)-one, hexahydro-8-methyl-4-phenyl-, cis-
CAS Number:
89044-92-8
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
8-methyl-4-phenyl-1,5-diazocan-2-one
InChI:
InChI=1S/C13H18N2O/c1-10-7-8-14-12(9-13(16)15-10)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3,(H,15,16)
InChI Key:
KATDTAQMOSJNON-UHFFFAOYSA-N
SMILES:
C[C@@H]1CCN[C@@H](CC(=O)N1)c1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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