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174677-83-9 | 1,2-Cyclohexanediamine, N1,N2-bis[[2-(diphenylphosphino)phenyl]methyl]-, (1S,2S)-
CAS No: 174677-83-9 Catalog No: AG001ZVF MDL No:
Product Description
Catalog Number:
AG001ZVF
Chemical Name:
1,2-Cyclohexanediamine, N1,N2-bis[[2-(diphenylphosphino)phenyl]methyl]-, (1S,2S)-
CAS Number:
174677-83-9
Molecular Formula:
C44H44N2P2
Molecular Weight:
662.7811
IUPAC Name:
(1S,2S)-2-N,2-N-bis[(2-diphenylphosphanylphenyl)methyl]cyclohexane-1,2-diamine
InChI:
InChI=1S/C44H44N2P2/c45-41-29-15-16-30-42(41)46(33-35-19-13-17-31-43(35)47(37-21-5-1-6-22-37)38-23-7-2-8-24-38)34-36-20-14-18-32-44(36)48(39-25-9-3-10-26-39)40-27-11-4-12-28-40/h1-14,17-28,31-32,41-42H,15-16,29-30,33-34,45H2/t41-,42-/m0/s1
InChI Key:
GEZITKLHMKZYMH-COCZKOEFSA-N
SMILES:
C1CC[C@@H]([C@H](C1)NCc1ccccc1P(c1ccccc1)c1ccccc1)NCc1ccccc1P(c1ccccc1)c1ccccc1
Properties
Complexity:
806
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
662.298g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
662.798g/mol
Monoisotopic Mass:
662.298g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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