N,N,N-Triethyldecan-1-aminium phosphate

Catalog Number	ACM15618696
CAS	15618-69-6
Synonyms	Decyl(triethyl)azanium;phosphate
IUPAC Name	decyl(triethyl)azanium;phosphate
Molecular Weight	822.36
Molecular Formula	C48H108N3O4P
InChI	SWHMVAAOBKKNSR-UHFFFAOYSA-K
InChI Key	InChI=1S/3C16H36N.H3O4P/c3*1-5-9-10-11-12-13-14-15-16-17(6-2,7-3)8-4;1-5(2,3)4/h3*5-16H2,1-4H3;(H3,1,2,3,4)/q3*+1;/p-3
Purity	98%
Isomeric SMILES	CCCCCCCCCC[N+](CC)(CC)CC.CCCCCCCCCC[N+](CC)(CC)CC.CCCCCCCCCC[N+](CC)(CC)CC.[O-]P(=O)([O-])[O-]

Q&A

What is the topological polar surface area of N,N,N-Triethyldecan-1-aminium phosphate?

The topological polar surface area is 86.2.

What is the molecular formula of N,N,N-Triethyldecan-1-aminium phosphate?

The molecular formula is C48H108N3O4P.

What is the IUPAC name of N,N,N-Triethyldecan-1-aminium phosphate?

The IUPAC name is decyl(triethyl)azanium;phosphate.

What is the exact mass of N,N,N-Triethyldecan-1-aminium phosphate?

The exact mass is 821.80774593.

How many heavy atoms are present in N,N,N-Triethyldecan-1-aminium phosphate?

There are 56 heavy atoms in N,N,N-Triethyldecan-1-aminium phosphate.

What is the molecular weight of N,N,N-Triethyldecan-1-aminium phosphate?

The molecular weight is 822.4g/mol.

How many rotatable bonds are present in N,N,N-Triethyldecan-1-aminium phosphate?

There are 36 rotatable bonds.

What is the Canonical SMILES for N,N,N-Triethyldecan-1-aminium phosphate?

Canonical SMILES is CCCCCCCCCC[N+](CC)(CC)CC.CCCCCCCCCC[N+](CC)(CC)CC.CCCCCCCCCC[N+](CC)(CC)CC.[O-]P(=O)([O-])[O-].

What is the InChIKey for N,N,N-Triethyldecan-1-aminium phosphate?

The InChIKey is SWHMVAAOBKKNSR-UHFFFAOYSA-K.