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


Chemical Name: 5H-1,4-Diazepin-5-one, hexahydro-4-methyl-
CAS Number: 172314-56-6
Product Number: AG00AO81(AGN-PC-01X61V)
Synonyms:
MDL No:
Molecular Formula: C6H12N2O
Molecular Weight: 128.1723

Identification/Properties


Computed Properties
Molecular Weight:
128.175g/mol
XLogP3:
-1
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:
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#:
N/A
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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