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174758-63-5 | (1R,2R)-N1,N2-Bis(2-(diphenylphosphino)benzyl)cyclohexane-1,2-diamine
CAS No: 174758-63-5 Catalog No: AG003BGN MDL No:MFCD16618374
Product Description
Catalog Number:
AG003BGN
Chemical Name:
(1R,2R)-N1,N2-Bis(2-(diphenylphosphino)benzyl)cyclohexane-1,2-diamine
CAS Number:
174758-63-5
Molecular Formula:
C44H44N2P2
Molecular Weight:
662.7811
MDL Number:
MFCD16618374
IUPAC Name:
(1R,2R)-1-N,2-N-bis[(2-diphenylphosphanylphenyl)methyl]cyclohexane-1,2-diamine
InChI:
InChI=1S/C44H44N2P2/c1-5-21-37(22-6-1)47(38-23-7-2-8-24-38)43-31-17-13-19-35(43)33-45-41-29-15-16-30-42(41)46-34-36-20-14-18-32-44(36)48(39-25-9-3-10-26-39)40-27-11-4-12-28-40/h1-14,17-28,31-32,41-42,45-46H,15-16,29-30,33-34H2/t41-,42-/m1/s1
InChI Key:
OBHPYVNBXWUKNY-NCRNUEESSA-N
SMILES:
C1CC[C@H]([C@@H](C1)NCc1ccccc1P(c1ccccc1)c1ccccc1)NCc1ccccc1P(c1ccccc1)c1ccccc1
Properties
Complexity:
780
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:
2
Isotope Atom Count:
0
Molecular Weight:
662.798g/mol
Monoisotopic Mass:
662.298g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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