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89044-83-7 | 1,5-Diazocin-2(1H)-one, 1-ethylhexahydro-4-phenyl-
CAS No: 89044-83-7 Catalog No: AG0041QM MDL No:
Product Description
Catalog Number:
AG0041QM
Chemical Name:
1,5-Diazocin-2(1H)-one, 1-ethylhexahydro-4-phenyl-
CAS Number:
89044-83-7
Molecular Formula:
C14H20N2O
Molecular Weight:
232.3214
IUPAC Name:
1-ethyl-4-phenyl-1,5-diazocan-2-one
InChI:
InChI=1S/C14H20N2O/c1-2-16-10-6-9-15-13(11-14(16)17)12-7-4-3-5-8-12/h3-5,7-8,13,15H,2,6,9-11H2,1H3
InChI Key:
KRUCZCZTXZZKLS-UHFFFAOYSA-N
SMILES:
CCN1CCCNC(CC1=O)c1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.327g/mol
Monoisotopic Mass:
232.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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