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


Chemical Name: 5H-1,4-Diazepin-5-one, hexahydro-
CAS Number: 34376-54-0
Product Number: AG00BYSJ(AGN-PC-0KK8EP)
Synonyms:
MDL No:
Molecular Formula: C5H10N2O
Molecular Weight: 114.1457

Identification/Properties


Properties
MP:
65-68 °C
BP:
308.8°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
114.148g/mol
XLogP3:
-1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
114.079g/mol
Monoisotopic Mass:
114.079g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
92.4
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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