ethyl 1-benzyl-5-oxoazepane-4-carboxylate


Chemical Name: ethyl 1-benzyl-5-oxoazepane-4-carboxylate
CAS Number: 19673-12-2
Product Number: AG003Q0G(AGN-PC-0NJ4QA)
Synonyms:
MDL No: MFCD11045474
Molecular Formula: C16H21NO3
Molecular Weight: 275.3428

Identification/Properties


Properties
BP:
389.8±42.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
275.348g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
275.152g/mol
Monoisotopic Mass:
275.152g/mol
Topological Polar Surface Area:
46.6A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
337
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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