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

MSDS COA Spec Sheet

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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

Canonical 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

H-Bond Donor

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.