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101280-06-2 | Benzenamine, 4,4'-[2-butyne-1,4-diylbis(oxy)]bis- (9CI)
CAS No: 101280-06-2 Catalog No: AG00045D MDL No:
Product Description
Catalog Number:
AG00045D
Chemical Name:
Benzenamine, 4,4'-[2-butyne-1,4-diylbis(oxy)]bis- (9CI)
CAS Number:
101280-06-2
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
4-[4-(4-aminophenoxy)but-2-ynoxy]aniline
InChI:
InChI=1S/C16H16N2O2/c17-13-3-7-15(8-4-13)19-11-1-2-12-20-16-9-5-14(18)6-10-16/h3-10H,11-12,17-18H2
InChI Key:
MSOJWAALQYDUCS-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)OCC#CCOc1ccc(cc1)N
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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