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(1R,2R)-N1,N2-bis({[2-(diphenylphosphanyl)phenyl]methyl})cyclohexane-1,2-diamine

(1R,2R)-N1,N2-bis({[2-(diphenylphosphanyl)phenyl]methyl})cyclohexane-1,2-diamine

CAS: 174758-63-5

Formula: C44H44N2P2

SMILES: C(N[C@@H]1CCCC[C@H]1NCC1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: (1R,2R)-N1,N2-bis({[2-(diphenylphosphanyl)phenyl]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

Composition: C (79.74%), H (6.69%), N (4.23%), P (9.35%)

Molar Mass: 662.798

Atom Count: 92

Heavy Atom Count: 48

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 2
Exact Mass 662.297973421
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey OBHPYVNBXWUKNY-NCRNUEESSA-N
Lipinski's Rule of Five
Molar Refractivity 203.86
Topological Polar Surface Area 24.06
Polarizability 80.99
Ring Count 7
Rotatable Bond Count 12

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