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1237588-13-4 | Piperidine, 1-[2-[bis(tricyclo[3.3.1.13,7]dec-1-yl)phosphino]phenyl]-
CAS No: 1237588-13-4 Catalog No: AG000L1E MDL No:
Product Description
Catalog Number:
AG000L1E
Chemical Name:
Piperidine, 1-[2-[bis(tricyclo[3.3.1.13,7]dec-1-yl)phosphino]phenyl]-
CAS Number:
1237588-13-4
Molecular Formula:
C31H44NP
Molecular Weight:
461.6615
IUPAC Name:
bis(1-adamantyl)-(2-piperidin-1-ylphenyl)phosphane
InChI:
InChI=1S/C31H44NP/c1-4-8-32(9-5-1)28-6-2-3-7-29(28)33(30-16-22-10-23(17-30)12-24(11-22)18-30)31-19-25-13-26(20-31)15-27(14-25)21-31/h2-3,6-7,22-27H,1,4-5,8-21H2
InChI Key:
FPQYIRBFZLNVLL-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)c1ccccc1P(C12CC3CC(C2)CC(C1)C3)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.321g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.674g/mol
Monoisotopic Mass:
461.321g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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