3-(pyrrolidin-1-ylmethyl)benzoic acid;hydrochloride


Chemical Name: 3-(pyrrolidin-1-ylmethyl)benzoic acid;hydrochloride
CAS Number: 887922-93-2
Product Number: AG003HZS(AGN-PC-01XFVJ)
Synonyms:
MDL No: MFCD08690301
Molecular Formula: C12H16ClNO2
Molecular Weight: 241.7139

Identification/Properties


Properties
MP:
168 °C
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
241.715g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
241.087g/mol
Monoisotopic Mass:
241.087g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
224
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:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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