4-[(4-methylpiperazin-1-yl)methyl]benzoic acid;dihydrochloride


Chemical Name: 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid;dihydrochloride
CAS Number: 106261-49-8
Product Number: AG003KKM(AGN-PC-0N2R4W)
Synonyms:
MDL No: MFCD07772867
Molecular Formula: C13H20Cl2N2O2
Molecular Weight: 307.2161

Identification/Properties


Properties
MP:
305-307 °C
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
307.215g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
306.09g/mol
Monoisotopic Mass:
306.09g/mol
Topological Polar Surface Area:
43.8A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
254
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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