2,8,9-Tri-i-propyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane

Catalog Number	ACM175845213-1
CAS	175845-21-3
Structure
Synonyms	2,8,9-Tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane
IUPAC Name	2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane
Molecular Weight	300.42
Molecular Formula	C15H33N4P
InChI	DFRWCJYSXGNOFD-UHFFFAOYSA-N
InChI Key	InChI=1S/C15H33N4P/c1-13(2)17-10-7-16-8-11-18(14(3)4)20(17)19(12-9-16)15(5)6/h13-15H,7-12H2,1-6H3
Boiling Point	351.4ºC at 760 mmHg
Flash Point	46 °F
Purity	98%
Density	0.922 g/mL at 25 °C(lit.)
Appearance	Liquid
Exact Mass	300.24400
Isomeric SMILES	CC(C)N1CCN2CCN(P1N(CC2)C(C)C)C(C)C

Q&A

What is the CAS number of 2,8,9-Tri-i-propyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane?

The CAS number is 175845-21-3.

What is the Canonical SMILES representation of the compound?

CC(C)N1CCN2CCN(P1N(CC2)C(C)C)C(C)C

How many hydrogen bond acceptors are present in the compound?

There are 4 hydrogen bond acceptors.

What is the XLogP3 value of 2,8,9-Tri-i-propyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane?

The XLogP3 value is 2.6.

What is the molecular weight of the compound?

The molecular weight is 300.42 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2,8,9-tri(propan-2-yl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane.

What is the Monoisotopic Mass of 2,8,9-Tri-i-propyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane?

The Monoisotopic Mass is 300.24428407.

What is the InChIKey of the compound?

DFRWCJYSXGNOFD-UHFFFAOYSA-N

How many heavy atoms are present in the compound?

There are 20 heavy atoms.

What are some of the depositor-supplied synonyms for 2,8,9-Tri-i-propyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane?

Some synonyms include AKOS015912888, CS-0108401, and 2,8,9-triisopropyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane.