N-Cyanoacetylurethane - ≥98% , CAS No.6629-04-5

CAS: 6629-04-5 Cat. No.: N134104 Molecular Weight: 156.14 EC Number: 229-615-4
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
GEO-00827 | 2-Cyanoacetylurethane | ethyl(2-cyanoacetyl)carbamate | 2-Cyanoacetylcarbamic acid, ethyl ester | N-Cyanoacetyl ethyl carbamate | SCHEMBL700167 | A852609 | EINECS 229-615-4 | ethyl N-(2-cyanoacetyl)carbamate | cyanoacetylurethane | N-Cyanoacet
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
N134104-1g
4
$9.90
5g
N134104-5g
4
$17.90
25g
N134104-25g
4
$68.90
100g
N134104-100g
2
$228.90
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

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
GEO-00827 | 2-Cyanoacetylurethane | ethyl(2-cyanoacetyl)carbamate | 2-Cyanoacetylcarbamic acid, ethyl ester | N-Cyanoacetyl ethyl carbamate | SCHEMBL700167 | A852609 | EINECS 229-615-4 | ethyl N-(2-cyanoacetyl)carbamate | cyanoacetylurethane | N-Cyanoacet
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488182805
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488182805
Canonical SmilesCCOC(=O)NC(=O)CC#N
IUPAC Nameethyl N-(2-cyanoacetyl)carbamate
InChIKeyHSOGVWWWGVFXGF-UHFFFAOYSA-N
INCHI1S/C6H8N2O3/c1-2-11-6(10)8-5(9)3-4-7/h2-3H2,1H3,(H,8,9,10)
Isomeric SMILES CCOC(=O)NC(=O)CC#N
WGK Germany 3
RTECS EZ3480000
Molecular Weight 156.14
Reaxy-Rn 1210605
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1210605&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
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Carbamic acids and derivatives
Direct ParentCarbamate esters
Alternative Parents Dicarboximides  Organic carbonic acids and derivatives  Nitriles  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Carbamic acid ester - Dicarboximide - Carbonic acid derivative - Nitrile - Carbonitrile - 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 carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
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.

8 results found

Lot NumberCertificate TypeDateItem
C2412352Certificate of AnalysisDec 22, 2025 N134104
C2412353Certificate of AnalysisDec 22, 2025 N134104
B2316221Certificate of AnalysisNov 14, 2024 N134104
B2316262Certificate of AnalysisNov 14, 2024 N134104
B2316328Certificate of AnalysisNov 14, 2024 N134104
B2316219Certificate of AnalysisNov 11, 2024 N134104
B2316252Certificate of AnalysisNov 11, 2024 N134104
B2316264Certificate of AnalysisNov 11, 2024 N134104
Chemical and Physical Properties
Melt Point(°C)167-169 °C (lit.)
Molecular Weight156.140 g/mol
XLogP30.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass156.053 Da
Monoisotopic Mass156.053 Da
Topological Polar Surface Area79.200 Ų
Heavy Atom Count11
Formal Charge0
Complexity203.000
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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