1-Benzyl-1,4-diazepan-5-one


Chemical Name: 1-Benzyl-1,4-diazepan-5-one
CAS Number: 55186-89-5
Product Number: AG00D8WW(AGN-PC-0WAMKS)
Synonyms:
MDL No: MFCD00225259
Molecular Formula: C12H16N2O
Molecular Weight: 204.2682

Identification/Properties


Properties
MP:
128 - 129 °C
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
204.273g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
204.126g/mol
Monoisotopic Mass:
204.126g/mol
Topological Polar Surface Area:
32.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
212
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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