Bis[2-(diadamantylphosphino)ethyl]amine

• CAS: 1086138-36-4
• Catalog Number: ACM1086138364
• Category: Other Products
• Molecular Weight: 673.991g/mol
• Molecular Formula: C44H69NP2
• Synonyms: SC11619; Bis[2-(di-1-adamantylphosphino)ethyl]amine; ZINC97944295; DTXSID90728923; SCHEMBL1466055; Bis[2-(di-1-adamantylphosphino)ethyl]amine,min. 97%; BIS[2-(DIADAMANTYLPHOSPHINO)ETHYL]AMINE; Bis[2-(diadamantylphosphino)ethyl]amine, 97%
• IUPAC Name: 2-[bis(1-adamantyl)phosphanyl]-N-[2-[bis(1-adamantyl)phosphanyl]ethyl]ethanamine
• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)P(CCNCCP(C45CC6CC(C4)CC(C6)C5)C78CC9CC(C7)CC(C9)C8)C12CC3CC(C1)CC(C3)C2
• InChI: InChI=1S/C44H69NP2/c1(3-46(41-17-29-5-30(18-41)7-31(6-29)19-41)42-20-32-8-33(21-42)10-34(9-32)22-42)45-2-4-47(43-23-35-11-36(24-43)13-37(12-35)25-43)44-26-38-14-39(27-44)16-40(15-38)28-44/h29-40,45H,1-28H2
• InChI Key: KBHQOEPPHGCYHC-UHFFFAOYSA-N
• Complexity: 904
• Covalently-Bonded Unit Count: 1
• Exact Mass: 673.491g/mol
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 47
• Monoisotopic Mass: 673.491g/mol
• Rotatable Bond Count: 10
• Topological Polar Surface Area: 12A^2