Benzenepropanoic acid, b-amino-, ethyl ester


Chemical Name: Benzenepropanoic acid, b-amino-, ethyl ester
CAS Number: 6335-76-8
Product Number: AG00ECXI(AGN-PC-0T82WJ)
Synonyms:
MDL No:
Molecular Formula: C11H15NO2
Molecular Weight: 193.2423

Identification/Properties


Properties
MP:
111-112℃ (water ethanol )
BP:
299°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
193.246g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
193.11g/mol
Monoisotopic Mass:
193.11g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
176
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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