1,3-Benzenedicarboxylic acid, 5-amino-, dimethyl ester


Chemical Name: 1,3-Benzenedicarboxylic acid, 5-amino-, dimethyl ester
CAS Number: 99-27-4
Product Number: AG006ONI(AGN-PC-0JL7FB)
Synonyms:
MDL No:
Molecular Formula: C10H11NO4
Molecular Weight: 209.1986

Identification/Properties


Properties
MP:
178-181 °C(lit.)
BP:
366.6 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
Soluble in Chloroform.
Computed Properties
Molecular Weight:
209.201g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
209.069g/mol
Monoisotopic Mass:
209.069g/mol
Topological Polar Surface Area:
78.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
230
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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