2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]acetic acid;hydrochloride


Chemical Name: 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]acetic acid;hydrochloride
CAS Number: 1215333-48-4
Product Number: AG01E052(AGN-PC-0JPT14)
Synonyms:
MDL No:
Molecular Formula: C18H30Cl3N5O2
Molecular Weight: 454.8221

Identification/Properties


Computed Properties
Molecular Weight:
454.821g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
453.147g/mol
Monoisotopic Mass:
453.147g/mol
Topological Polar Surface Area:
96.9A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
462
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:
4
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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