1-Acetyl-3-methylurea - ≥96% , CAS No.623-59-6

CAS: 623-59-6 Cat. No.: A151230 Molecular Weight: 116.12 Beilstein Registry Number: 4(4)207
AVAILABLE TO ORDER
GRADE & PURITY ≥96%
Synonyms
BRN 1753728 | 3-acetyl-1-methylurea | FT-0632620 | Acetamide, N-[(methylamino)carbonyl]- | InChI=1/C4H8N2O2/c1-3(7)6-4(8)5-2/h1-2H3,(H2,5,6,7,8 | NSC 7608 | N-Acetyl-N'-methylurea | acetamide, n-[(methylamino)carbonyl]- (en) | 5-(p-tolyl)cyclohexane-1,3-d
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
A151230-5g
5

$72.90

$85.90
Save $13.00 (15.13%)
25g
A151230-25g
4

$282.90

$330.90
Save $48.00 (14.51%)
100g
A151230-100g
1

$822.90

$1,190.90
Save $368.00 (30.90%)
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Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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
BRN 1753728 | 3-acetyl-1-methylurea | FT-0632620 | Acetamide, N-[(methylamino)carbonyl]- | InChI=1/C4H8N2O2/c1-3(7)6-4(8)5-2/h1-2H3, (H2, 5, 6, 7, 8 | NSC 7608 | N-Acetyl-N'-methylurea | acetamide, n-[(methylamino)carbonyl]- (en) | 5-(p-tolyl)cyclohexane-1, 3-d
Specifications & Purity
≥96%
Storage
Room temperature
Shipped In
Normal
Purity
≥96%
Names and Identifiers
Pubchem Sid488184294
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488184294
Canonical SmilesCC(=O)NC(=O)NC
IUPAC NameN-(methylcarbamoyl)acetamide
InChIKeyXRVHSOXXNQTWAW-UHFFFAOYSA-N
INCHI1S/C4H8N2O2/c1-3(7)6-4(8)5-2/h1-2H3,(H2,5,6,7,8)
Isomeric SMILES CC(=O)NC(=O)NC
RTECS YR6850000
Molecular Weight 116.12
Beilstein 4(4)207
Reaxy-Rn 1753728
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1753728&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.

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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
SuperclassOrganic acids and derivatives
ClassOrganic carbonic acids and derivatives
SubclassUreas
Intermediate Tree Nodes Ureides
Direct ParentN-acyl ureas
Alternative Parents Dicarboximides  Acetamides  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents N-acyl urea - Acetamide - Dicarboximide - 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 ureas. These are compounds containing an urea bearing a N-acyl group.
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.

5 results found

Lot NumberCertificate TypeDateItem
D2320375Certificate of AnalysisMar 24, 2023 A151230
D2320384Certificate of AnalysisMar 24, 2023 A151230
D2320385Certificate of AnalysisMar 24, 2023 A151230
D2320389Certificate of AnalysisMar 24, 2023 A151230
D2320411Certificate of AnalysisMar 24, 2023 A151230
Chemical and Physical Properties
Melt Point(°C)180 °C
Molecular Weight116.120 g/mol
XLogP3-0.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass116.059 Da
Monoisotopic Mass116.059 Da
Topological Polar Surface Area58.200 Ų
Heavy Atom Count8
Formal Charge0
Complexity111.000
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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