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Bis[2-(di-1-adamantylphosphino)ethyl]amine, min. 97%

Bis[2-(di-1-adamantylphosphino)ethyl]amine, min. 97%

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Molecular Formula:

C44H69NP2

Molecular Weight:

673.97

CAS Number:

1086138-36-4

Catalog Number:

1086138-36-4

Product Information

Molecular Formula:

C44H69NP2

Molecular Weight:

673.97

Description

Bis[2-(di-1-adamantylphosphino)ethyl]amine, min. 97% is a high purity compound primarily used in the biomedical industry. It serves as a potential ligand for various metal catalysts in drug synthesis. Additionally, it finds application in the creation of organometallic complexes used for targeted drug delivery, especially in the drug development of cancer and other diseases.

Synonyms

2-[bis(1-adamantyl)phosphanyl]-N-[2-[bis(1-adamantyl)phosphanyl]ethyl]ethanamine; bis(2-(Di(adamantan-1-yl)phosphino)ethyl)amine; 1086138-36-4; SCHEMBL1466055; MolPort-027-834-793; ZINC97944295

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

Melting Point

217-222 °C

Flash Point

Not applicable

Purity

95%

Computed Properties

XLogP3

9.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

673.49052520 g/mol

Monoisotopic Mass

673.49052520 g/mol

Topological Polar Surface Area

12Å²

Heavy Atom Count

Formal Charge

Complexity

904

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Bis[2-(di-1-adamantylphosphino)ethyl]amine, min. 97%

Product Information

Computed Properties

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