Benzoic acid, 3,5-diamino-, dihydrochloride


Chemical Name: Benzoic acid, 3,5-diamino-, dihydrochloride
CAS Number: 618-56-4
Product Number: AG003IKN(AGN-PC-0T1X64)
Synonyms:
MDL No:
Molecular Formula: C7H10Cl2N2O2
Molecular Weight: 225.0725

Identification/Properties


Properties
MP:
>300℃ (lit.)
BP:
459.1°C at 760 mmHg
Form:
Solid
Computed Properties
Molecular Weight:
225.069g/mol
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
224.012g/mol
Monoisotopic Mass:
224.012g/mol
Topological Polar Surface Area:
89.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
151
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:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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