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114808-37-6 | Piperidine, 4,4'-(1,3-propanediyl)bis[1-dodecyl-
CAS No: 114808-37-6 Catalog No: AG000F9T MDL No:
Product Description
Catalog Number:
AG000F9T
Chemical Name:
Piperidine, 4,4'-(1,3-propanediyl)bis[1-dodecyl-
CAS Number:
114808-37-6
Molecular Formula:
C37H74N2
Molecular Weight:
546.9969
IUPAC Name:
1-dodecyl-4-[3-(1-dodecylpiperidin-4-yl)propyl]piperidine
InChI:
InChI=1S/C37H74N2/c1-3-5-7-9-11-13-15-17-19-21-30-38-32-26-36(27-33-38)24-23-25-37-28-34-39(35-29-37)31-22-20-18-16-14-12-10-8-6-4-2/h36-37H,3-35H2,1-2H3
InChI Key:
BDYPIIOUCPGRMQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN1CCC(CC1)CCCC1CCN(CC1)CCCCCCCCCCCC
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
546.585g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
547.013g/mol
Monoisotopic Mass:
546.585g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.6
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