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101130-95-4 | Benzoic acid, 4-[bis(phenylmethyl)amino]-, ethyl ester
CAS No: 101130-95-4 Catalog No: AG0003SP MDL No:
Product Description
Catalog Number:
AG0003SP
Chemical Name:
Benzoic acid, 4-[bis(phenylmethyl)amino]-, ethyl ester
CAS Number:
101130-95-4
Molecular Formula:
C23H23NO2
Molecular Weight:
345.4342
IUPAC Name:
ethyl 4-(dibenzylamino)benzoate
InChI:
InChI=1S/C23H23NO2/c1-2-26-23(25)21-13-15-22(16-14-21)24(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16H,2,17-18H2,1H3
InChI Key:
OCKJDNBLMKZQDN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.173g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.442g/mol
Monoisotopic Mass:
345.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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