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Home > Imidazoles > 7494-29-3
7494-29-3 | Benzoic acid,4-[3-(2-hydroxyethyl)-2-phenyl-1-imidazolidinyl]-, ethyl ester
CAS No: 7494-29-3 Catalog No: AG005S49 MDL No:
Product Description
Catalog Number:
AG005S49
Chemical Name:
Benzoic acid,4-[3-(2-hydroxyethyl)-2-phenyl-1-imidazolidinyl]-, ethyl ester
CAS Number:
7494-29-3
Molecular Formula:
C20H24N2O3
Molecular Weight:
340.4162
IUPAC Name:
ethyl 4-[3-(2-hydroxyethyl)-2-phenylimidazolidin-1-yl]benzoate
InChI:
InChI=1S/C20H24N2O3/c1-2-25-20(24)17-8-10-18(11-9-17)22-13-12-21(14-15-23)19(22)16-6-4-3-5-7-16/h3-11,19,23H,2,12-15H2,1H3
InChI Key:
PJNDHPMZMBBNAI-UHFFFAOYSA-N
SMILES:
OCCN1CCN(C1c1ccccc1)c1ccc(cc1)C(=O)OCC
NSC Number:
98933
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.179g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.423g/mol
Monoisotopic Mass:
340.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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