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127381-59-3 | Phenol, 2,2'-[[[(4-aminophenyl)methyl]imino]bis(2,1-ethanediyliminomethylene)]bis- (9CI)
CAS No: 127381-59-3 Catalog No: AG000X0E MDL No:
Product Description
Catalog Number:
AG000X0E
Chemical Name:
Phenol, 2,2'-[[[(4-aminophenyl)methyl]imino]bis(2,1-ethanediyliminomethylene)]bis- (9CI)
CAS Number:
127381-59-3
Molecular Formula:
C25H32N4O2
Molecular Weight:
420.5472
IUPAC Name:
2-[[2-[(4-aminophenyl)methyl-[2-[(2-hydroxyphenyl)methylamino]ethyl]amino]ethylamino]methyl]phenol
InChI:
InChI=1S/C25H32N4O2/c26-23-11-9-20(10-12-23)19-29(15-13-27-17-21-5-1-3-7-24(21)30)16-14-28-18-22-6-2-4-8-25(22)31/h1-12,27-28,30-31H,13-19,26H2
InChI Key:
NARTWDHDTRAIOY-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)CN(CCNCc1ccccc1O)CCNCc1ccccc1O
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.253g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
420.557g/mol
Monoisotopic Mass:
420.253g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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