2-Dicyclohexylphosphino-2',6'-bis(N,N-dimethylamino)biphenyl

Catalog Number	ACM1160556648-1
CAS	1160556-64-8
Structure
Synonyms	2'-(Dicyclohexylphosphino)-N2,N2,N6,N6-tetramethyl-[1,1'-biphenyl]-2,6-diamine; CPhos
IUPAC Name	2-(2-dicyclohexylphosphanylphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
Molecular Weight	436.61
Molecular Formula	C28H41N2P
InChI	DRNAQRXLOSUHBQ-UHFFFAOYSA-N
InChI Key	InChI=1S/C28H41N2P/c1-29(2)25-19-13-20-26(30(3)4)28(25)24-18-11-12-21-27(24)31(22-14-7-5-8-15-22)23-16-9-6-10-17-23/h11-13,18-23H,5-10,14-17H2,1-4H3
Boiling Point	592.8±50.0 °C(Predicted)
Melting Point	111-113 °C
Purity	98%
Appearance	Solid
Isomeric SMILES	CN(C)C1=C(C(=CC=C1)N(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4
pKa	5.04±0.28(Predicted)

Q&A

What is the IUPAC name of the chemical structure with the compound "2-Dicyclohexylphosphino-2',6'-bis(N,N-dimethylamino)biphenyl"?

The IUPAC name is 2-(2-dicyclohexylphosphanylphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine.

What is the CAS number of the chemical structure with the compound "2-Dicyclohexylphosphino-2',6'-bis(N,N-dimethylamino)biphenyl"?

The CAS number is 1160556-64-8.

What is the molecular formula of the chemical structure with the compound "2-Dicyclohexylphosphino-2',6'-bis(N,N-dimethylamino)biphenyl"?

The molecular formula is C28H41N2P.

What is the molecular weight of the chemical structure with the compound "2-Dicyclohexylphosphino-2',6'-bis(N,N-dimethylamino)biphenyl"?

The molecular weight is 436.6g/mol.

What is the exact mass of the chemical structure with the compound "2-Dicyclohexylphosphino-2',6'-bis(N,N-dimethylamino)biphenyl"?

The exact mass is 436.30073631.

What is the Canonical SMILES of the chemical structure with the compound "2-Dicyclohexylphosphino-2',6'-bis(N,N-dimethylamino)biphenyl"?

CN(C)C1=C(C(=CC=C1)N(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.

How many heavy atoms are present in the chemical structure with the compound "2-Dicyclohexylphosphino-2',6'-bis(N,N-dimethylamino)biphenyl"?

There are 31 heavy atoms.

What is the XLogP3 value of the chemical structure with the compound "2-Dicyclohexylphosphino-2',6'-bis(N,N-dimethylamino)biphenyl"?

The XLogP3 value is 7.

How many rotatable bonds are present in the chemical structure with the compound "2-Dicyclohexylphosphino-2',6'-bis(N,N-dimethylamino)biphenyl"?

There are 6 rotatable bonds.

What is the InChIKey of the chemical structure with the compound "2-Dicyclohexylphosphino-2',6'-bis(N,N-dimethylamino)biphenyl"?

The InChIKey is DRNAQRXLOSUHBQ-UHFFFAOYSA-N.