1-(2-Methoxyphenyl)-2-(dicyclohexylphosphino)pyrrole

Catalog Number	ACM672937632-2
CAS	672937-63-2
Structure
Synonyms	2-(Dicyclohexylphosphino)-1-(2-Methoxyphenyl)-1H-Pyrrole
IUPAC Name	dicyclohexyl-[1-(2-methoxyphenyl)pyrrol-2-yl]phosphane
Molecular Weight	369.48
Molecular Formula	C23H32NOP
InChI	JUZAKZRALSJLOV-UHFFFAOYSA-N
InChI Key	InChI=1S/C23H32NOP/c1-25-22-16-9-8-15-21(22)24-18-10-17-23(24)26(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h8-10,15-20H,2-7,11-14H2,1H3
Boiling Point	517.7±30.0 °C(Predicted)
Melting Point	96-97 °C
Purity	98%
Appearance	Solid
Exact Mass	369.22200
Isomeric SMILES	COC1=CC=CC=C1N2C=CC=C2P(C3CCCCC3)C4CCCCC4
pKa	-6.63±0.70(Predicted)
Type	cataCXium

Q&A

What is the CAS number for the compound?

The CAS number for the compound is 672937-63-2.

What is the exact mass of the compound?

The exact mass of the compound is 369.22215164.

What is the Canonical SMILES representation of the compound?

The Canonical SMILES representation of the compound is COC1=CC=CC=C1N2C=CC=C2P(C3CCCCC3)C4CCCCC4.

How many heavy atoms are present in the compound?

There are 26 heavy atoms present in the compound.

What is the Molecular Weight of the compound?

The Molecular Weight of the compound is 369.5g/mol.

What is the IUPAC Name of the compound?

The IUPAC Name of the compound is dicyclohexyl-[1-(2-methoxyphenyl)pyrrol-2-yl]phosphane.

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

There is 1 covalently-bonded unit present in the compound.

How many rotatable bonds are present in the compound?

There are 5 rotatable bonds present in the compound.

How many hydrogen bond acceptors are present in the compound?

There is 1 hydrogen bond acceptor present in the compound.

What is the InChIKey of the compound?

The InChIKey of the compound is JUZAKZRALSJLOV-UHFFFAOYSA-N.