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


Chemical Name: Benzoic acid, 2,3-diamino-, methyl ester
CAS Number: 107582-20-7
Product Number: AG00355L(AGN-PC-0JT3AO)
Synonyms:
MDL No: MFCD04038589
Molecular Formula: C8H10N2O2
Molecular Weight: 166.1772

Identification/Properties


Properties
MP:
68-70 °C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
166.18g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
166.074g/mol
Monoisotopic Mass:
166.074g/mol
Topological Polar Surface Area:
78.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
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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