Benzoic acid, 4-(butylamino)-, ethyl ester


Chemical Name: Benzoic acid, 4-(butylamino)-, ethyl ester
CAS Number: 94-32-6
Product Number: AG003Q95(AGN-PC-0JL7D7)
Synonyms:
MDL No:
Molecular Formula: C13H19NO2
Molecular Weight: 221.2955

Identification/Properties


Properties
MP:
68-70 °C(lit.)
BP:
338.4 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.5175 (estimate)
Computed Properties
Molecular Weight:
221.3g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
7
Exact Mass:
221.142g/mol
Monoisotopic Mass:
221.142g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
198
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


NMR Spectrum


Other Analytical Data


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