200,000+ products from a single source!
sales@angenechem.com
116387-50-9 | Benzoic acid, 2-[4-[[4-(dimethylamino)phenyl]methylamino]benzoyl]-
CAS No: 116387-50-9 Catalog No: AG000CCR MDL No:
Product Description
Catalog Number:
AG000CCR
Chemical Name:
Benzoic acid, 2-[4-[[4-(dimethylamino)phenyl]methylamino]benzoyl]-
CAS Number:
116387-50-9
Molecular Formula:
C23H22N2O3
Molecular Weight:
374.4324
IUPAC Name:
2-[4-[[4-(dimethylamino)phenyl]methylamino]benzoyl]benzoic acid
InChI:
InChI=1S/C23H22N2O3/c1-25(2)19-13-7-16(8-14-19)15-24-18-11-9-17(10-12-18)22(26)20-5-3-4-6-21(20)23(27)28/h3-14,24H,15H2,1-2H3,(H,27,28)
InChI Key:
CRDNKERJXQDIDL-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)c1ccc(cc1)NCc1ccc(cc1)N(C)C
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.163g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.44g/mol
Monoisotopic Mass:
374.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.