2-(Diphenylphosphino)-N,N-dimethylaniline

Catalog Number	ACM4358503
CAS	4358-50-3
Structure
Synonyms	Benzenamine, 2-(diphenylphosphino)-N,N-dimethyl-
IUPAC Name	2-diphenylphosphanyl-N,N-dimethylaniline
Molecular Weight	305.35
Molecular Formula	C20H20NP
InChI	LRZUEXVJCUCZCM-UHFFFAOYSA-N
InChI Key	InChI=1S/C20H20NP/c1-21(2)19-15-9-10-16-20(19)22(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16H,1-2H3
Purity	98%
Isomeric SMILES	CN(C)C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3

Q&A

What is the molecular formula of the compound 2-(Diphenylphosphino)-N,N-dimethylaniline?

The molecular formula is C20H20NP.

What is the exact mass of 2-(Diphenylphosphino)-N,N-dimethylaniline?

The exact mass is 305.133336640 g/mol.

How many heavy atoms are present in the compound?

There are 22 heavy atoms in the compound 2-(Diphenylphosphino)-N,N-dimethylaniline.

What is the computed value of XLogP3 for this compound?

The computed value of XLogP3 is 4.7 for 2-(Diphenylphosphino)-N,N-dimethylaniline.

How many rotatable bonds are present in the compound?

There are 4 rotatable bonds in 2-(Diphenylphosphino)-N,N-dimethylaniline.

What is the Canonical SMILES representation of the compound?

The Canonical SMILES representation is CN(C)C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3.

What is the InChIKey of 2-(Diphenylphosphino)-N,N-dimethylaniline?

The InChIKey is LRZUEXVJCUCZCM-UHFFFAOYSA-N.

How many hydrogen bond acceptors are present in the molecule?

There is 1 hydrogen bond acceptor in 2-(Diphenylphosphino)-N,N-dimethylaniline.

What is the CAS number of the compound?

The CAS number is 4358-50-3.

How would you write the IUPAC name for this compound?

The IUPAC name is 2-diphenylphosphanyl-N,N-dimethylaniline.