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(1R,2R)-N1,N1-bis({2-[bis(3,5-dimethylphenyl)phosphanyl]phenyl}methyl)cyclohexane-1,2-diamine

(1R,2R)-N1,N1-bis({2-[bis(3,5-dimethylphenyl)phosphanyl]phenyl}methyl)cyclohexane-1,2-diamine

CAS: 1150113-66-8

Formula: C52H60N2P2

SMILES: CC1=CC(=CC(C)=C1)P(C1=CC(C)=CC(C)=C1)C1=CC=CC=C1CN(CC1=CC=CC=C1P(C1=CC(C)=CC(C)=C1)C1=CC(C)=CC(C)=C1)[C@@H]1CCCC[C@H]1N

IUPAC: (1R,2R)-N1,N1-bis({2-[bis(3,5-dimethylphenyl)phosphanyl]phenyl}methyl)cyclohexane-1,2-diamine

InChI: InChI=1S/C52H60N2P2/c1-35-21-36(2)26-45(25-35)55(46-27-37(3)22-38(4)28-46)51-19-13-9-15-43(51)33-54(50-18-12-11-17-49(50)53)34-44-16-10-14-20-52(44)56(47-29-39(5)23-40(6)30-47)48-31-41(7)24-42(8)32-48/h9-10,13-16,19-32,49-50H,11-12,17-18,33-34,53H2,1-8H3/

Composition: C (80.59%), H (7.80%), N (3.61%), P (7.99%)

Molar Mass: 775.014

Atom Count: 116

Heavy Atom Count: 56

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 2
Exact Mass 774.423173936
Formal Charge 0
FSP3 0.31
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey JGZZEPZYYHSWHV-CDKYPKJRSA-N
Lipinski's Rule of Five
Molar Refractivity 244.71
Topological Polar Surface Area 29.26
Polarizability 95.12
Ring Count 7
Rotatable Bond Count 11

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Purity LeadTime CAS UnitPrice
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99% <5 Days 1150113-66-8 $56.75-$244.63$56.75$95.84$244.63
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