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122002-76-0 | PHENOL, 4-[3-[4-[3-(ETHYLAMINO)-2-PYRIDINYL]-1-PIPERAZINYL]PROPYL]-2,6-DIMETHYL-
CAS No: 122002-76-0 Catalog No: AG0016KI MDL No:
Product Description
Catalog Number:
AG0016KI
Chemical Name:
PHENOL, 4-[3-[4-[3-(ETHYLAMINO)-2-PYRIDINYL]-1-PIPERAZINYL]PROPYL]-2,6-DIMETHYL-
CAS Number:
122002-76-0
Molecular Formula:
C22H32N4O
Molecular Weight:
368.5157
IUPAC Name:
4-[3-[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]propyl]-2,6-dimethylphenol
InChI:
InChI=1S/C22H32N4O/c1-4-23-20-8-5-9-24-22(20)26-13-11-25(12-14-26)10-6-7-19-15-17(2)21(27)18(3)16-19/h5,8-9,15-16,23,27H,4,6-7,10-14H2,1-3H3
InChI Key:
FASPQJKFUXVFTB-UHFFFAOYSA-N
SMILES:
CCNc1cccnc1N1CCN(CC1)CCCc1cc(C)c(c(c1)C)O
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.258g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
368.525g/mol
Monoisotopic Mass:
368.258g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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