CAS
93894-68-9 Purity
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93894-68-9 Purity
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Diethyl[3-[[(heptadecafluoroisooctyl)sulfonyl]amino]propyl]methylammonium iodide
CAS
93894-72-5
Catalog Number
ACM93894725
Category
Other Products
Molecular Weight
754.284524 [g/mol]
Molecular Formula
C16H20F17IN2O2S
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Specification
Synonyms
EINECS 299-772-1, Diethyl(3-(((heptadecafluoroisooctyl)sulphonyl)amino)propyl)methylammonium iodide, 93894-72-5
IUPAC Name
diethyl-methyl-[3-[[1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptyl]sulfonylamino]propyl]azanium iodide
Canonical SMILES
CC[N+](C)(CC)CCCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[I-]
InChI Key
GFKVYUIOBFJCSX-UHFFFAOYSA-M
EC Number
299-772-1
Exact Mass
754.00200
H-Bond Acceptor
21
H-Bond Donor
1
What is the molecular formula of Diethyl[3-[[(heptadecafluoroisooctyl)sulfonyl]amino]propyl]methylammonium iodide?
The molecular formula is C16H20F17IN2O2S.
What is the molecular weight of Diethyl[3-[[(heptadecafluoroisooctyl)sulfonyl]amino]propyl]methylammonium iodide?
The molecular weight is 754.3 g/mol.
When was this compound created and last modified?
It was created on 2009-08-20 and last modified on 2023-12-30.
What is the IUPAC name of Diethyl[3-[[(heptadecafluoroisooctyl)sulfonyl]amino]propyl]methylammonium iodide?
The IUPAC name is diethyl-methyl-[3-[[1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptyl]sulfonylamino]propyl]azanium;iodide.
What is the InChIKey of Diethyl[3-[[(heptadecafluoroisooctyl)sulfonyl]amino]propyl]methylammonium iodide?
The InChIKey is GFKVYUIOBFJCSX-UHFFFAOYSA-M.
How many hydrogen bond acceptors does this compound have?
It has 21 hydrogen bond acceptors.
What is the topological polar surface area of Diethyl[3-[[(heptadecafluoroisooctyl)sulfonyl]amino]propyl]methylammonium iodide?
The topological polar surface area is 54.6 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many rotatable bonds does this compound have?
It has 13 rotatable bonds.
What are the synonyms for Diethyl[3-[[(heptadecafluoroisooctyl)sulfonyl]amino]propyl]methylammonium iodide?
The synonyms include 93894-72-5, EINECS 299-772-1, and DTXSID70881126.
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