4-[(2-methylphenyl)methylamino]butanoic acid;hydrochloride


Chemical Name: 4-[(2-methylphenyl)methylamino]butanoic acid;hydrochloride
CAS Number: 1181458-44-5
Product Number: AG019VCC(AGN-PC-07HC1C)
Synonyms:
MDL No:
Molecular Formula: C12H18ClNO2
Molecular Weight: 243.7298

Identification/Properties


Computed Properties
Molecular Weight:
243.731g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
243.103g/mol
Monoisotopic Mass:
243.103g/mol
Topological Polar Surface Area:
49.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
194
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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