CAS
93776-25-1 Purity
96%
93776-25-1 Purity
96%
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Bis(2-hydroxyethyl)ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl)phosphate
CAS
93776-30-8
Catalog Number
ACM93776308
Category
Other Products
Molecular Weight
1795.4432594
Molecular Formula
C38H20F62NO6P
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Specification
Synonyms
EINECS 297-958-7, 93776-30-8, Bis(2-hydroxyethyl)ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl) phosphate
IUPAC Name
bis(2-hydroxyethyl)azanium; bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl] phosphate
SMILES
C(COP(=O)([O-])OCCC(C(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C(CO)[NH2+]CCO
InChI Key
ZDLDNYXLNRTCDA-UHFFFAOYSA-N
Boiling Point
657.1ºC at 760mmHg
Flash Point
351.2ºC
Density
g/cm³
EC Number
297-958-7
Exact Mass
1795.00000
H-Bond Acceptor
68
H-Bond Donor
3
What is the molecular formula of the compound?
The molecular formula of the compound is C38H20F62NO6P.
Are there any synonyms for the compound?
Yes, some synonyms for the compound are Bis(2-hydroxyethyl)ammonium bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl] phosphate.
When was the compound created and modified?
The compound was created on August 20, 2009, and modified on December 30, 2023.
What is the InChIKey of the compound?
The InChIKey of the compound is ZDLDNYXLNRTCDA-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound?
There are 3 hydrogen bond donor counts in the compound.
What is the hydrogen bond acceptor count in the compound?
The hydrogen bond acceptor count in the compound is 68.
What is the exact mass of the compound?
The exact mass of the compound is 1795.0038204 g/mol.
How many rotatable bond counts are there in the compound?
There are 36 rotatable bond counts in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 116 Ų.
How many heavy atoms are present in the compound?
There are 108 heavy atoms present in the compound.
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