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14585-44-5 | 1,4-Piperazinediethanol, α1,α4-bis[[(4-methylphenyl)amino]methyl]-
CAS No: 14585-44-5 Catalog No: AG001DGS MDL No:
Product Description
Catalog Number:
AG001DGS
Chemical Name:
1,4-Piperazinediethanol, α1,α4-bis[[(4-methylphenyl)amino]methyl]-
CAS Number:
14585-44-5
Molecular Formula:
C24H36N4O2
Molecular Weight:
412.5682
IUPAC Name:
1-[4-[2-hydroxy-3-(4-methylanilino)propyl]piperazin-1-yl]-3-(4-methylanilino)propan-2-ol
InChI:
InChI=1S/C24H36N4O2/c1-19-3-7-21(8-4-19)25-15-23(29)17-27-11-13-28(14-12-27)18-24(30)16-26-22-9-5-20(2)6-10-22/h3-10,23-26,29-30H,11-18H2,1-2H3
InChI Key:
CPDOMSQVNLPAJS-UHFFFAOYSA-N
SMILES:
OC(CN1CCN(CC1)CC(CNc1ccc(cc1)C)O)CNc1ccc(cc1)C
NSC Number:
153676
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.284g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
412.578g/mol
Monoisotopic Mass:
412.284g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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