(2-Aminophenyl)dimethylphosphine oxide

Catalog Number	ACM1197953471
CAS	1197953-47-1
Structure
Synonyms	2-(Dimethylphosphoryl)Aniline; 2-(Dimethylphosphinyl)Aniline
IUPAC Name	2-dimethylphosphorylaniline
Molecular Weight	169.16
Molecular Formula	C8H12NOP
InChI	DHHGHQKIKXKQGJ-UHFFFAOYSA-N
InChI Key	InChI=1S/C8H12NOP/c1-11(2,10)8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3
Boiling Point	367.5±34.0 °C(Predicted)
Purity	98%
Density	1.11±0.1 g/cm3(Predicted)
Isomeric SMILES	CP(=O)(C)C1=CC=CC=C1N
pKa	1.10±0.10(Predicted)

Q&A

What is the CAS number of the compound (2-Aminophenyl)dimethylphosphine oxide?

The CAS number of the compound is 1197953-47-1.

How many defined atom stereocenters does the compound have?

The compound has 0 defined atom stereocenters.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is CP(=O)(C)C1=CC=CC=C1N.

What is the IUPAC Name of the compound?

The IUPAC Name of the compound is 2-dimethylphosphorylaniline.

How many hydrogen bond acceptors does the compound have?

The compound has 2 hydrogen bond acceptor counts.

What is the molecular weight of the compound?

The molecular weight of the compound is 169.16g/mol.

What is the Monoisotopic Mass of the compound?

The Monoisotopic Mass of the compound is 169.065651004.

How many heavy atoms are present in the compound?

There are 11 heavy atoms present in the compound.

What is the Exact Mass of the compound?

The Exact Mass of the compound is 169.065651004.

What is the InChIKey of the compound?

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