N,N-Bis(2-(diphenylphosphino)ethyl)aniline

Catalog Number	ACM141547344
CAS	141547-34-4
Synonyms	N,N-Bis[2-(diphenylphosphanyl)ethyl]aniline
IUPAC Name	N,N-bis(2-diphenylphosphanylethyl)aniline
Molecular Weight	517.58
Molecular Formula	C34H33NP2
InChI	YKKBLYRNQRSRQV-UHFFFAOYSA-N
InChI Key	InChI=1S/C34H33NP2/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25H,26-29H2
Boiling Point	638.0±40.0 °C(Predicted)
Purity	98%
Isomeric SMILES	C1=CC=C(C=C1)N(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5
pKa	5.81±0.50(Predicted)

Q&A

What is the CAS number of N,N-Bis(2-(diphenylphosphino)ethyl)aniline?

The CAS number is 141547-34-4.

What is the molecular formula of N,N-Bis(2-(diphenylphosphino)ethyl)aniline?

The molecular formula is C34H33NP2.

What is the molecular weight of N,N-Bis(2-(diphenylphosphino)ethyl)aniline?

The molecular weight is 517.6g/mol.

What is the exact mass of N,N-Bis(2-(diphenylphosphino)ethyl)aniline?

The exact mass is 517.20882405.

How many covalently-bonded units are present in the structure?

There is 1 covalently-bonded unit.

How many heavy atoms are present in the molecule?

There are 37 heavy atoms.

What is the complexity of the computed properties of N,N-Bis(2-(diphenylphosphino)ethyl)aniline?

The complexity is 515.

How many rotatable bonds are present in the molecule?

There are 11 rotatable bonds.

What is the topological polar surface area of N,N-Bis(2-(diphenylphosphino)ethyl)aniline?

The topological polar surface area is 3.2.

What is the InChIKey of N,N-Bis(2-(diphenylphosphino)ethyl)aniline?

The InChIKey is YKKBLYRNQRSRQV-UHFFFAOYSA-N.