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139265-66-0 | 3-Piperidinone, 2,6-bis[[4-(diethylamino)phenyl]methylene]-4-methyl-
CAS No: 139265-66-0 Catalog No: AG001AMB MDL No:
Product Description
Catalog Number:
AG001AMB
Chemical Name:
3-Piperidinone, 2,6-bis[[4-(diethylamino)phenyl]methylene]-4-methyl-
CAS Number:
139265-66-0
Molecular Formula:
C28H37N3O
Molecular Weight:
431.6129
IUPAC Name:
2,6-bis[[4-(diethylamino)phenyl]methylidene]-4-methylpiperidin-3-one
InChI:
InChI=1S/C28H37N3O/c1-6-30(7-2)25-14-10-22(11-15-25)19-24-18-21(5)28(32)27(29-24)20-23-12-16-26(17-13-23)31(8-3)9-4/h10-17,19-21,29H,6-9,18H2,1-5H3
InChI Key:
HPVTZUCRCWCBJD-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)C=C1CC(C)C(=O)C(=Cc2ccc(cc2)N(CC)CC)N1)CC
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.294g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.624g/mol
Monoisotopic Mass:
431.294g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
6.6
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