2-(N-Ethylperfluorooctanesulfonamido)acetic acid(sum of isomers) - ≥95% , CAS No.2991-50-6

CAS: 2991-50-6 Cat. No.: N691101 Molecular Weight: 585.23 EC Number: 221-061-1 PubChem CID: 18134
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycine | [(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)ethylamino]aceticacid | [(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)ethylamino]aceticacid | [(Heptadecafluorooctylsu
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
10mg
N691101-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$99.90
50mg
N691101-50mg
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$278.90

$299.90
Save $21.00 (7.00%)
250mg
N691101-250mg
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$829.90
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycine | [(1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8-Heptadecafluorooctylsulfonyl)ethylamino]aceticacid | [(1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8-Heptadecafluorooctylsulfonyl)ethylamino]aceticacid | [(Heptadecafluorooctylsu
Specifications & Purity
≥95%
Storage
Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Names and Identifiers
Canonical SmilesCCN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
IUPAC Name2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]acetic acid
InChIKeyCKRXVVGETMYFIO-UHFFFAOYSA-N
INCHI1S/C12H8F17NO4S/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-3H2,1H3,(H,31,32)
Isomeric SMILES CCN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
PubChem CID 18134
Molecular Weight 585.23

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganohalogen compounds
ClassAlkyl halides
SubclassAlkyl fluorides
Intermediate Tree Nodes Perfluoroalkyl sulfonic acid and derivatives
Direct ParentPerfluorooctane sulfonic acid and derivatives
Alternative Parents Perfluoroalkane sulfonamidoacetals  Alpha amino acids and derivatives  Organosulfonamides  Organic sulfonamides  Aminosulfonyl compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Perfluorooctane sulfonic acid or derivatives - Perfluoroalkane sulfonamidoacetal - Alpha-amino acid or derivatives - Organic sulfonic acid amide - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as perfluorooctane sulfonic acid and derivatives. These are organic compounds containing an octyl chain attached to the sulfur of a sulfonic acid (or a derivative thereof), where all hydrogens of the octyl chain are replaced by fluorine atoms.
External Descriptors organofluorine compound - monocarboxylic acid - sulfonamide
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
C2604610Certificate of AnalysisFeb 25, 2026 N691101
C2604632Certificate of AnalysisFeb 25, 2026 N691101
C2604634Certificate of AnalysisFeb 25, 2026 N691101
Chemical and Physical Properties
Molecular Weight585.240 g/mol
XLogP35.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count22
Rotatable Bond Count11
Exact Mass584.99 Da
Monoisotopic Mass584.99 Da
Topological Polar Surface Area83.100 Ų
Heavy Atom Count35
Formal Charge0
Complexity905.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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