3-Pyridinepropanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aR)-


Chemical Name: 3-Pyridinepropanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aR)-
CAS Number: 98266-33-2
Product Number: AG00690Y(AGN-PC-0W81SJ)
Synonyms:
MDL No:
Molecular Formula: C13H18N2O4
Molecular Weight: 266.2930

Identification/Properties


Properties
MP:
136.8 °C
BP:
452.9 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.6450 (estimate)
Computed Properties
Molecular Weight:
266.297g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
266.127g/mol
Monoisotopic Mass:
266.127g/mol
Topological Polar Surface Area:
88.5A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
325
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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:
H317
Precautionary Statements:
P261-P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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