Benzoic acid, 3-(aminomethyl)-, methyl ester, hydrochloride


Chemical Name: Benzoic acid, 3-(aminomethyl)-, methyl ester, hydrochloride
CAS Number: 17841-68-8
Product Number: AG002613(AGN-PC-0KL752)
Synonyms:
MDL No: MFCD04039173
Molecular Formula: C9H12ClNO2
Molecular Weight: 201.6501

Identification/Properties


Properties
MP:
177-179 °C
BP:
279.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
201.65g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
201.056g/mol
Monoisotopic Mass:
201.056g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
159
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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