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14585-43-4 | 1,4-Piperazinediethanol, α1,α4-bis[(phenylamino)methyl]-
CAS No: 14585-43-4 Catalog No: AG001DGT MDL No:
Product Description
Catalog Number:
AG001DGT
Chemical Name:
1,4-Piperazinediethanol, α1,α4-bis[(phenylamino)methyl]-
CAS Number:
14585-43-4
Molecular Formula:
C22H32N4O2
Molecular Weight:
384.5151
IUPAC Name:
1-anilino-3-[4-(3-anilino-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
InChI:
InChI=1S/C22H32N4O2/c27-21(15-23-19-7-3-1-4-8-19)17-25-11-13-26(14-12-25)18-22(28)16-24-20-9-5-2-6-10-20/h1-10,21-24,27-28H,11-18H2
InChI Key:
FYLVPQTYBYDLRA-UHFFFAOYSA-N
SMILES:
OC(CN1CCN(CC1)CC(CNc1ccccc1)O)CNc1ccccc1
NSC Number:
153678
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.253g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
384.524g/mol
Monoisotopic Mass:
384.253g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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