Di(1-adamantyl)benzylphosphine

Catalog Number	ACM395116708-1
CAS	395116-70-8
Structure
Synonyms	Benzyldi-1-Adamantylphosphine
IUPAC Name	bis(1-adamantyl)-benzylphosphane
Molecular Weight	392.56
Molecular Formula	C27H37P
Canonical SMILES	C1C2CC3CC1CC(C2)(C3)P(CC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6;
InChI	ANIAFEJRWQDKDV-UHFFFAOYSA-N
InChI Key	InChI=1S/C27H37P/c1-2-4-19(5-3-1)18-28(26-12-20-6-21(13-26)8-22(7-20)14-26)27-15-23-9-24(16-27)11-25(10-23)17-27/h1-5,20-25H,6-18H2
Melting Point	183 °C
Purity	98%
Appearance	Solid
Application	Useful ligand for Sonogashira coupling reaction.
Complexity	487
Covalently-Bonded Unit Count	1
Exact Mass	392.263g/mol
Heavy Atom Count	28
Isomeric SMILES	C1C2CC3CC1CC(C2)(C3)P(CC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6
Monoisotopic Mass	392.263g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	0A^2
Type	cataCXium

Q&A

What is the CAS number of Di(1-adamantyl)benzylphosphine?

The CAS number of Di(1-adamantyl)benzylphosphine is 395116-70-8.

How many heavy atoms are present in the molecular formula of Di(1-adamantyl)benzylphosphine?

There are 28 heavy atoms present in the molecular formula of Di(1-adamantyl)benzylphosphine.

What is the Canonical SMILES representation of Di(1-adamantyl)benzylphosphine?

The Canonical SMILES of Di(1-adamantyl)benzylphosphine is C1C2CC3CC1CC(C2)(C3)P(CC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6.

How many rotatable bonds are present in the structure of Di(1-adamantyl)benzylphosphine?

There are four rotatable bonds present in the structure of Di(1-adamantyl)benzylphosphine.

What is the molecular weight of Di(1-adamantyl)benzylphosphine?

The molecular weight of Di(1-adamantyl)benzylphosphine is 392.6g/mol.

What is the IUPAC name of Di(1-adamantyl)benzylphosphine?

The IUPAC name of Di(1-adamantyl)benzylphosphine is bis(1-adamantyl)-benzylphosphane.

What is the exact mass of Di(1-adamantyl)benzylphosphine?

The exact mass of Di(1-adamantyl)benzylphosphine is 392.263288178.

How many Covalently-Bonded Unit Count exist in Di(1-adamantyl)benzylphosphine?

There is one Covalently-Bonded Unit Count in Di(1-adamantyl)benzylphosphine.

What is the XLogP3 value of Di(1-adamantyl)benzylphosphine?

The XLogP3 value of Di(1-adamantyl)benzylphosphine is 6.8.

How many Isotope Atom Count are present in Di(1-adamantyl)benzylphosphine?

There are no Isotope Atom Count present in Di(1-adamantyl)benzylphosphine.