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

• CAS: 175845-21-3
• Catalog Number: ACM175845213-1
• Category: Other Products
• Molecular Weight: 300.42
• Molecular Formula: C15H33N4P
• 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
• 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
• Density: 0.922 g/mL at 25 °C(lit.)
• Appearance: Liquid
• Exact Mass: 300.24400
• Hazard Statements: F: Flammable;Xn: Harmful
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Isomeric SMILES: CC(C)N1CCN2CCN(P1N(CC2)C(C)C)C(C)C
• Safety Description: S36/37

Custom 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.