Home Aminos 3-((2,4-dimethylphenyl)amino)propanoic acid

3-((2,4-dimethylphenyl)amino)propanoic acid

CAS No.:
36053-80-2
Catalog Number:
AG01E66J
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
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Product Description
Catalog Number:
AG01E66J
Chemical Name:
3-((2,4-dimethylphenyl)amino)propanoic acid
CAS Number:
36053-80-2
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
3-(2,4-dimethylanilino)propanoic acid
InChI:
InChI=1S/C11H15NO2/c1-8-3-4-10(9(2)7-8)12-6-5-11(13)14/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)
InChI Key:
XBIJEMZZXRYNNR-UHFFFAOYSA-N
SMILES:
OC(=O)CCNc1ccc(cc1C)C
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties