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88138-77-6 | Benzenamine, 4-[[6-(1H-imidazol-1-yl)hexyl]oxy]-2-methyl-
CAS No: 88138-77-6 Catalog No: AG004DAK MDL No:
Product Description
Catalog Number:
AG004DAK
Chemical Name:
Benzenamine, 4-[[6-(1H-imidazol-1-yl)hexyl]oxy]-2-methyl-
CAS Number:
88138-77-6
Molecular Formula:
C16H23N3O
Molecular Weight:
273.3733
IUPAC Name:
4-(6-imidazol-1-ylhexoxy)-2-methylaniline
InChI:
InChI=1S/C16H23N3O/c1-14-12-15(6-7-16(14)17)20-11-5-3-2-4-9-19-10-8-18-13-19/h6-8,10,12-13H,2-5,9,11,17H2,1H3
InChI Key:
ANIBOBNORNNMDT-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1C)OCCCCCCn1cncc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.38g/mol
Monoisotopic Mass:
273.184g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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