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122002-80-6 | PHENOL, 4-[2-[4-[3-(ETHYLAMINO)-2-PYRIDINYL]-1-PIPERAZINYL]ETHYL]-2,6-DIMETHYL-
CAS No: 122002-80-6 Catalog No: AG0016KG MDL No:
Product Description
Catalog Number:
AG0016KG
Chemical Name:
PHENOL, 4-[2-[4-[3-(ETHYLAMINO)-2-PYRIDINYL]-1-PIPERAZINYL]ETHYL]-2,6-DIMETHYL-
CAS Number:
122002-80-6
Molecular Formula:
C21H30N4O
Molecular Weight:
354.4891
IUPAC Name:
4-[2-[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]ethyl]-2,6-dimethylphenol
InChI:
InChI=1S/C21H30N4O/c1-4-22-19-6-5-8-23-21(19)25-12-10-24(11-13-25)9-7-18-14-16(2)20(26)17(3)15-18/h5-6,8,14-15,22,26H,4,7,9-13H2,1-3H3
InChI Key:
WFFSVSRUHIOACQ-UHFFFAOYSA-N
SMILES:
CCNc1cccnc1N1CCN(CC1)CCc1cc(C)c(c(c1)C)O
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.242g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.498g/mol
Monoisotopic Mass:
354.242g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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