5H-1,4-Diazepin-5-one, hexahydro-1-methyl-


Chemical Name: 5H-1,4-Diazepin-5-one, hexahydro-1-methyl-
CAS Number: 5441-40-7
Product Number: AG003EI8(AGN-PC-0JO7F0)
Synonyms:
MDL No:
Molecular Formula: C6H12N2O
Molecular Weight: 128.1723

Identification/Properties


Properties
MP:
83 - 85 °C
BP:
274.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
128.175g/mol
XLogP3:
-0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
128.095g/mol
Monoisotopic Mass:
128.095g/mol
Topological Polar Surface Area:
32.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
114
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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