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122958-17-2 | Ethanamine, N,N-diethyl-2-[4-(1H-imidazol-1-yl)phenoxy]-
CAS No: 122958-17-2 Catalog No: AG000JTN MDL No:
Product Description
Catalog Number:
AG000JTN
Chemical Name:
Ethanamine, N,N-diethyl-2-[4-(1H-imidazol-1-yl)phenoxy]-
CAS Number:
122958-17-2
Molecular Formula:
C15H21N3O
Molecular Weight:
259.3467
IUPAC Name:
N,N-diethyl-2-(4-imidazol-1-ylphenoxy)ethanamine
InChI:
InChI=1S/C15H21N3O/c1-3-17(4-2)11-12-19-15-7-5-14(6-8-15)18-10-9-16-13-18/h5-10,13H,3-4,11-12H2,1-2H3
InChI Key:
WPUUCRUYIRXFFZ-UHFFFAOYSA-N
SMILES:
CCN(CCOc1ccc(cc1)n1cncc1)CC
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.353g/mol
Monoisotopic Mass:
259.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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