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1245647-07-7 | Butanoic acid, 4-[[2-(4-aMinophenoxy)ethyl](phenylMethyl)aMino]-
CAS No: 1245647-07-7 Catalog No: AG000MAQ MDL No:
Product Description
Catalog Number:
AG000MAQ
Chemical Name:
Butanoic acid, 4-[[2-(4-aMinophenoxy)ethyl](phenylMethyl)aMino]-
CAS Number:
1245647-07-7
Molecular Formula:
C19H24N2O3
Molecular Weight:
328.4055
IUPAC Name:
4-[2-(4-aminophenoxy)ethyl-benzylamino]butanoic acid
InChI:
InChI=1S/C19H24N2O3/c20-17-8-10-18(11-9-17)24-14-13-21(12-4-7-19(22)23)15-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-15,20H2,(H,22,23)
InChI Key:
ACFLPEFSCJVQES-UHFFFAOYSA-N
SMILES:
OC(=O)CCCN(Cc1ccccc1)CCOc1ccc(cc1)N
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.179g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.412g/mol
Monoisotopic Mass:
328.179g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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