1-O-benzyl 4-O-ethyl 5-oxoazepane-1,4-dicarboxylate


Chemical Name: 1-O-benzyl 4-O-ethyl 5-oxoazepane-1,4-dicarboxylate
CAS Number: 31696-09-0
Product Number: AG003Q0O(AGN-PC-001XPH)
Synonyms:
MDL No: MFCD17926218
Molecular Formula: C17H21NO5
Molecular Weight: 319.3523

Identification/Properties


Properties
BP:
459.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
319.357g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
319.142g/mol
Monoisotopic Mass:
319.142g/mol
Topological Polar Surface Area:
72.9A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
431
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#:
N/A
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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