3,7-Diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane

Catalog Number	ACM63249990
CAS	63249-99-0
Synonyms	1,3,7-Triaza-5-phosphabicyclo[3.3.1]nonane, 3,7-diacetyl-; DAPTA
IUPAC Name	1-(7-acetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonan-3-yl)ethanone
Molecular Weight	229.22
Molecular Formula	C9H16N3O2P
InChI	MYJHMDGWZWBLCK-UHFFFAOYSA-N
InChI Key	InChI=1S/C9H16N3O2P/c1-8(13)11-3-10-4-12(9(2)14)7-15(5-10)6-11/h3-7H2,1-2H3
Boiling Point	447.1±45.0 °C(Predicted)
Melting Point	183 °C (decomposition)
Purity	98%
Appearance	Solid
Isomeric SMILES	CC(=O)N1CN2CN(CP(C2)C1)C(=O)C
pKa	3.42±0.20(Predicted)

Q&A

What is the CAS number of 3,7-Diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane?

The CAS number is 63249-99-0.

What is the molecular formula of 3,7-Diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane?

The molecular formula is C9H16N3O2P.

What is the molecular weight of 3,7-Diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane?

The molecular weight is 229.22 g/mol.

What is the exact mass of 3,7-Diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane?

The exact mass is 229.09801376.

What is the IUPAC name of 3,7-Diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane?

The IUPAC name is 1-(7-acetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonan-3-yl)ethanone.

How many heavy atoms are present in 3,7-Diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane?

There are 15 heavy atoms.

What is the topological polar surface area of 3,7-Diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane?

The topological polar surface area is 43.9.

How many hydrogen bond acceptor counts are there in 3,7-Diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane?

There are 3 hydrogen bond acceptors.

Does 3,7-Diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane have any defined atom stereocenters?

No, there are no defined atom stereocenters.

What are some other names and synonyms for 3,7-Diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane?

Some other names and synonyms include SCHEMBL4210915, DTXSID40478880, and 1,3,7-Triaza-5-phosphabicyclo[3.3.1]nonane, 3,7-diacetyl-.