1-(2-cyanophenyl)piperidine-4-carboxylic acid


Chemical Name: 1-(2-cyanophenyl)piperidine-4-carboxylic acid
CAS Number: 937601-79-1
Product Number: AG003CU8(AGN-PC-01XG3L)
Synonyms:
MDL No: MFCD08689748
Molecular Formula: C13H14N2O2
Molecular Weight: 230.2625

Identification/Properties


Properties
MP:
169-171
BP:
456.8±40.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
230.267g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
230.106g/mol
Monoisotopic Mass:
230.106g/mol
Topological Polar Surface Area:
64.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
326
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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