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89857-86-3 | Piperidine, 1-[(2,2-dinonyl-1,3-dioxolan-4-yl)methyl]-4-methyl-
CAS No: 89857-86-3 Catalog No: AG003XCW MDL No:
Product Description
Catalog Number:
AG003XCW
Chemical Name:
Piperidine, 1-[(2,2-dinonyl-1,3-dioxolan-4-yl)methyl]-4-methyl-
CAS Number:
89857-86-3
Molecular Formula:
C28H55NO2
Molecular Weight:
437.7418
IUPAC Name:
1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]-4-methylpiperidine
InChI:
InChI=1S/C28H55NO2/c1-4-6-8-10-12-14-16-20-28(21-17-15-13-11-9-7-5-2)30-25-27(31-28)24-29-22-18-26(3)19-23-29/h26-27H,4-25H2,1-3H3
InChI Key:
VSUPPRRMMCJDRD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC1(CCCCCCCCC)OCC(O1)CN1CCC(CC1)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.423g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
437.753g/mol
Monoisotopic Mass:
437.423g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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