Home Aminos 4-[benzyl(ethyl)amino]benzoic acid

4-[benzyl(ethyl)amino]benzoic acid

CAS No.:
1037132-10-7
Catalog Number:
AG01A8F3
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
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Product Description
Catalog Number:
AG01A8F3
Chemical Name:
4-[benzyl(ethyl)amino]benzoic acid
CAS Number:
1037132-10-7
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
MDL Number:
MFCD11923146
IUPAC Name:
4-[benzyl(ethyl)amino]benzoic acid
InChI:
InChI=1S/C16H17NO2/c1-2-17(12-13-6-4-3-5-7-13)15-10-8-14(9-11-15)16(18)19/h3-11H,2,12H2,1H3,(H,18,19)
InChI Key:
XRNGEQAOTMIKSR-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)C(=O)O)Cc1ccccc1
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties