CAS
97692-47-2 Purity
96%
97692-47-2 Purity
96%
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Bis-(2-hydroxypropyl)methyl-2-[(1-oxooctadecyl)oxy]propylammonium methyl sulfate
CAS
97692-52-9
Catalog Number
ACM97692529
Category
Other Products
Molecular Weight
583.861540 [g/mol]
Molecular Formula
C28H58NO4.CH3O4S
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Specification
Synonyms
EINECS 307-703-4, Bis(2-hydroxypropyl)methyl-2-((1-oxooctadecyl)oxy)propylammonium methyl sulphate, 97692-52-9
IUPAC Name
bis(2-hydroxypropyl)-methyl-(2-octadecanoyloxypropyl)azanium; methyl sulfate
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(C)C[N+](C)(CC(C)O)CC(C)O.COS(=O)(=O)[O-]
InChI Key
RTSUJNSWPZWQRD-UHFFFAOYSA-M
Boiling Point
577.8ºC at 760mmHg
Flash Point
303.2ºC
EC Number
307-703-4
Exact Mass
583.41200
H-Bond Acceptor
8
H-Bond Donor
2
What is the molecular formula of Bis-(2-hydroxypropyl)methyl-2-[(1-oxooctadecyl)oxy]propylammonium methyl sulfate?
The molecular formula is C29H61NO8S.
What is the molecular weight of Bis-(2-hydroxypropyl)methyl-2-[(1-oxooctadecyl)oxy]propylammonium methyl sulfate?
The molecular weight is 583.9 g/mol.
What are some synonyms for Bis-(2-hydroxypropyl)methyl-2-[(1-oxooctadecyl)oxy]propylammonium methyl sulfate?
Some synonyms include 97692-52-9, Bis(2-hydroxypropyl)methyl-2-((1-oxooctadecyl)oxy)propylammonium methyl sulphate, and DTXSID10913738.
What is the IUPAC name of Bis-(2-hydroxypropyl)methyl-2-[(1-oxooctadecyl)oxy]propylammonium methyl sulfate?
The IUPAC name is bis(2-hydroxypropyl)-methyl-(2-octadecanoyloxypropyl)azanium;methyl sulfate.
What is the InChI of Bis-(2-hydroxypropyl)methyl-2-[(1-oxooctadecyl)oxy]propylammonium methyl sulfate?
InChI=1S/C28H58NO4.CH4O4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(32)33-27(4)24-29(5,22-25(2)30)23-26(3)31;1-5-6(2,3)4/h25-27,30-31H,6-24H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1.
What is the InChIKey of Bis-(2-hydroxypropyl)methyl-2-[(1-oxooctadecyl)oxy]propylammonium methyl sulfate?
The InChIKey is RTSUJNSWPZWQRD-UHFFFAOYSA-M.
What is the canonical SMILES of Bis-(2-hydroxypropyl)methyl-2-[(1-oxooctadecyl)oxy]propylammonium methyl sulfate?
The canonical SMILES is CCCCCCCCCCCCCCCCCC(=O)OC(C)C[N+](C)(CC(C)O)CC(C)O.COS(=O)(=O)[O-].
What is the CAS number for Bis-(2-hydroxypropyl)methyl-2-[(1-oxooctadecyl)oxy]propylammonium methyl sulfate?
The CAS number is 97692-52-9.
How many hydrogen bond donor counts does Bis-(2-hydroxypropyl)methyl-2-[(1-oxooctadecyl)oxy]propylammonium methyl sulfate have?
It has 2 hydrogen bond donor counts.
Is the compound Bis-(2-hydroxypropyl)methyl-2-[(1-oxooctadecyl)oxy]propylammonium methyl sulfate considered canonicalized?
Yes, the compound is considered canonicalized.
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