ethyl 1-benzyl-4-cyanopiperidine-4-carboxylate


Chemical Name: ethyl 1-benzyl-4-cyanopiperidine-4-carboxylate
CAS Number: 123730-67-6
Product Number: AG000L04(AGN-PC-000Z3S)
Synonyms:
MDL No:
Molecular Formula: C16H20N2O2
Molecular Weight: 272.3422

Identification/Properties


Computed Properties
Molecular Weight:
272.348g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
272.152g/mol
Monoisotopic Mass:
272.152g/mol
Topological Polar Surface Area:
53.3A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
371
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:
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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