2,8,9-Trimethyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane hydrochloride

Catalog Number	ACM138800176-1
CAS	138800-17-6
Structure
Synonyms	2 8 9-Trimethyl-2 5 8 9-Tetraaza-1-Phos
IUPAC Name	2,8,9-trimethyl-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane;hydrochloride
Molecular Weight	252.72
Molecular Formula	C9H22ClN4P
InChI	QKTVLAVMLZQIEI-UHFFFAOYSA-N
InChI Key	InChI=1S/C9H21N4P.ClH/c1-10-4-7-13-8-5-11(2)14(10)12(3)6-9-13;/h4-9H2,1-3H3;1H
Melting Point	132-136 °C(lit.)
Purity	98%
Isomeric SMILES	CN1CCN2CCN(P1N(CC2)C)C.Cl

Q&A

What is the CAS number of the compound 2,8,9-Trimethyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane hydrochloride?

The CAS number is 138800-17-6.

What is the Canonical SMILES of 2,8,9-Trimethyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane hydrochloride?

CN1CCN2CCN(P1N(CC2)C)C.Cl

How many hydrogen bond acceptor counts are there in the computed properties of the compound?

There are 4 hydrogen bond acceptor counts.

What is the molecular formula of 2,8,9-Trimethyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane hydrochloride?

The molecular formula is C9H22ClN4P.

What is the exact mass of the compound?

The exact mass is 252.1270614.

What is the IUPAC name of the compound?

The IUPAC name is 2,8,9-trimethyl-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane;hydrochloride.

How many heavy atoms are there in the computed properties of the compound?

There are 15 heavy atoms.

What is the European Community (EC) Number of the compound?

The European Community (EC) Number is 622-531-2.

What is the molecular weight of 2,8,9-Trimethyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane hydrochloride?

The molecular weight is 252.72g/mol.

What is the InChIKey of the compound?

The InChIKey is QKTVLAVMLZQIEI-UHFFFAOYSA-N.