2H-Azepin-2-one, hexahydro-


Chemical Name: 2H-Azepin-2-one, hexahydro-
CAS Number: 105-60-2
Product Number: AG0034TG(AGN-PC-0BNEWN)
Synonyms:
MDL No:
Molecular Formula: C6H11NO
Molecular Weight: 113.1576

Identification/Properties


Properties
MP:
68-71 °C
BP:
136-138°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4935
Solubility:
H2O: 0.1 g/mL, clear, colorless
Computed Properties
Molecular Weight:
113.16g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
113.084g/mol
Monoisotopic Mass:
113.084g/mol
Topological Polar Surface Area:
29.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
90.5
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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