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78218-34-5 | Benzenepropanoic acid, a-phenyl-, 3-(diethylamino)propylester
CAS No: 78218-34-5 Catalog No: AG005CHU MDL No:
Product Description
Catalog Number:
AG005CHU
Chemical Name:
Benzenepropanoic acid, a-phenyl-, 3-(diethylamino)propylester
CAS Number:
78218-34-5
Molecular Formula:
C22H29NO2
Molecular Weight:
339.4712
IUPAC Name:
3-(diethylamino)propyl 2,3-diphenylpropanoate
InChI:
InChI=1S/C22H29NO2/c1-3-23(4-2)16-11-17-25-22(24)21(20-14-9-6-10-15-20)18-19-12-7-5-8-13-19/h5-10,12-15,21H,3-4,11,16-18H2,1-2H3
InChI Key:
NQDXHQITVYDOFD-UHFFFAOYSA-N
SMILES:
CCN(CCCOC(=O)C(c1ccccc1)Cc1ccccc1)CC
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.22g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.479g/mol
Monoisotopic Mass:
339.22g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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