Benzoic acid, 5-amino-2,4-dimethyl-, methyl ester


Chemical Name: Benzoic acid, 5-amino-2,4-dimethyl-, methyl ester
CAS Number: 140112-97-6
Product Number: AG001C1G(AGN-PC-07YK8B)
Synonyms:
MDL No:
Molecular Formula: C10H13NO2
Molecular Weight: 179.2157

Identification/Properties


Properties
BP:
300.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
179.219g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
179.095g/mol
Monoisotopic Mass:
179.095g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
193
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:
1
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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