Benzoic acid, 3,4-diamino-2-methoxy-, methyl ester


Chemical Name: Benzoic acid, 3,4-diamino-2-methoxy-, methyl ester
CAS Number: 538372-37-1
Product Number: AG003IRA(AGN-PC-0NHS3A)
Synonyms:
MDL No:
Molecular Formula: C9H12N2O3
Molecular Weight: 196.2032

Identification/Properties


Properties
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
196.206g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
196.085g/mol
Monoisotopic Mass:
196.085g/mol
Topological Polar Surface Area:
87.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
210
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#:
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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