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427898-09-7 | Pyridine, 2-(4,5,6,7-tetrahydro-2,3-diphenyl-2H-isophosphindol-1-yl)-
CAS No: 427898-09-7 Catalog No: AG0071GC MDL No:
Product Description
Catalog Number:
AG0071GC
Chemical Name:
Pyridine, 2-(4,5,6,7-tetrahydro-2,3-diphenyl-2H-isophosphindol-1-yl)-
CAS Number:
427898-09-7
Molecular Formula:
C25H38NP
Molecular Weight:
383.5497
IUPAC Name:
2-(2-cyclohexyl-3-phenyl-1,3,3a,4,5,6,7,7a-octahydroisophosphindol-1-yl)piperidine
InChI:
InChI=1S/C25H38NP/c1-3-11-19(12-4-1)24-21-15-7-8-16-22(21)25(23-17-9-10-18-26-23)27(24)20-13-5-2-6-14-20/h1,3-4,11-12,20-26H,2,5-10,13-18H2
InChI Key:
PFOSNDOOQFAKQH-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)P1C(C2CCCCN2)C2C(C1c1ccccc1)CCCC2
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.274g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.56g/mol
Monoisotopic Mass:
383.274g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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