Benzenebutanoic acid, a,2-diamino-g-oxo-, (aS)-


Chemical Name: Benzenebutanoic acid, a,2-diamino-g-oxo-, (aS)-
CAS Number: 2922-83-0
Product Number: AG002XRH(AGN-PC-0R4WCB)
Synonyms:
MDL No:
Molecular Formula: C10H12N2O3
Molecular Weight: 208.2139

Identification/Properties


Properties
MP:
219℃ (decomposition) (ethanol )
BP:
466.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
-33 ° (C=0.4, H2O)
Computed Properties
Molecular Weight:
208.217g/mol
XLogP3:
-2.2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
208.085g/mol
Monoisotopic Mass:
208.085g/mol
Topological Polar Surface Area:
106A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
255
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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