N,N-Diethylacetoacetamide - ≥98% , CAS No.2235-46-3

CAS: 2235-46-3 Cat. No.: N159279 Molecular Weight: 157.21 Beilstein Registry Number: 636486 EC Number: 218-792-3
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
N-Acetoacetyldiethylamine | N-diethylacetoacetamide | N,N Diethyl-3-oxobutyramide | MFCD00026728 | AKOS000120470 | PROMOTOR C | Diethylamid kyseliny acetoctove [Czech] | N,N-Diethyl-3-oxobutyramide | n.n-diethylacetoacetamide | AI3-06569 | 3-oxo-N,N-dieth
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
N159279-5g
1

$9.90

$14.90
Save $5.00 (33.56%)
25g
N159279-25g
1

$22.90

$34.90
Save $12.00 (34.38%)
100g
N159279-100g
1

$62.90

$94.90
Save $32.00 (33.72%)
250g
N159279-250g
1

$109.90

$164.90
Save $55.00 (33.35%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonyms
N-Acetoacetyldiethylamine | N-diethylacetoacetamide | N, N Diethyl-3-oxobutyramide | MFCD00026728 | AKOS000120470 | PROMOTOR C | Diethylamid kyseliny acetoctove [Czech] | N, N-Diethyl-3-oxobutyramide | n.n-diethylacetoacetamide | AI3-06569 | 3-oxo-N, N-dieth
Specifications & Purity
≥98%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesCCN(CC)C(=O)CC(=O)C
IUPAC NameN,N-diethyl-3-oxobutanamide
InChIKeyNTMXFHGYWJIAAE-UHFFFAOYSA-N
INCHI1S/C8H15NO2/c1-4-9(5-2)8(11)6-7(3)10/h4-6H2,1-3H3
Isomeric SMILES CCN(CC)C(=O)CC(=O)C
WGK Germany 3
RTECS AK4025000
Molecular Weight 157.21
Beilstein 636486
Reaxy-Rn 636486
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636486&ln=

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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassFatty Acyls
SubclassFatty amides
Intermediate Tree Nodes Not available
Direct ParentN-acyl amines
Alternative Parents 1,3-dicarbonyl compounds  Tertiary carboxylic acid amides  Ketones  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents 1,3-dicarbonyl compound - N-acyl-amine - Tertiary carboxylic acid amide - Ketone - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.
External Descriptors Not available
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.

12 results found

Lot NumberCertificate TypeDateItem
H2501428Certificate of AnalysisMar 25, 2025 N159279
H2501429Certificate of AnalysisMar 25, 2025 N159279
H2501430Certificate of AnalysisMar 25, 2025 N159279
C2406013Certificate of AnalysisJan 25, 2024 N159279
C2408185Certificate of AnalysisJan 25, 2024 N159279
C2408186Certificate of AnalysisJan 25, 2024 N159279
C2408187Certificate of AnalysisJan 25, 2024 N159279
C2408188Certificate of AnalysisJan 25, 2024 N159279
C2408189Certificate of AnalysisJan 25, 2024 N159279
C2408190Certificate of AnalysisJan 25, 2024 N159279
C2408191Certificate of AnalysisJan 25, 2024 N159279
C2409315Certificate of AnalysisJan 25, 2024 N159279

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Chemical and Physical Properties
SensitivityAir Sensitive
Refractive Index1.47
Flash Point(°F)201.2 °F
Flash Point(°C)120°C(lit.)
Boil Point(°C)116°C/12mmHg(lit.)
Molecular Weight157.210 g/mol
XLogP30.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass157.11 Da
Monoisotopic Mass157.11 Da
Topological Polar Surface Area37.400 Ų
Heavy Atom Count11
Formal Charge0
Complexity150.000
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
Reviews

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