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Home Aminos Benzoic acid, 4-[[[4-(dimethylamino)phenyl]methyl]amino]-, ethyl ester

Benzoic acid, 4-[[[4-(dimethylamino)phenyl]methyl]amino]-, ethyl ester

CAS No.:
64261-07-0
Catalog Number:
AG01FNIQ
Molecular Formula:
C18H22N2O2
Molecular Weight:
298.3795
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Product Description
Catalog Number:
AG01FNIQ
Chemical Name:
Benzoic acid, 4-[[[4-(dimethylamino)phenyl]methyl]amino]-, ethyl ester
CAS Number:
64261-07-0
Molecular Formula:
C18H22N2O2
Molecular Weight:
298.3795
IUPAC Name:
ethyl 4-[[4-(dimethylamino)phenyl]methylamino]benzoate
InChI:
InChI=1S/C18H22N2O2/c1-4-22-18(21)15-7-9-16(10-8-15)19-13-14-5-11-17(12-6-14)20(2)3/h5-12,19H,4,13H2,1-3H3
InChI Key:
PFRXJEDCOMKDBZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NCc1ccc(cc1)N(C)C
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.168g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
298.386g/mol
Monoisotopic Mass:
298.168g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties