Cyanoacetylurea - ≥98% , CAS No.1448-98-2

CAS: 1448-98-2 Cat. No.: C108028 Formula: C₄H₅N₃O₂ Molecular Weight: 127.10 Beilstein Registry Number: 3,66 EC Number: 215-906-3

GRADE & PURITY ≥98%

Synonyms

NSC6287 | NSC-6287 | M3689A6A46 | N-(Cyanoacetyl)urea # | D97656 | Cyanoacetylurea | N-Carbamoyl-2-cyanoacetamide | Depridol | (2-cyanoacetyl)urea | (Cyanoacetyl)urea | EINECS 215-906-3 | N-(2-Cyanoacetyl)urea | Acetamide, N-(aminocarbonyl)-2-cyano- | Cya

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

NSC6287 | NSC-6287 | M3689A6A46 | N-(Cyanoacetyl)urea # | D97656 | Cyanoacetylurea | N-Carbamoyl-2-cyanoacetamide | Depridol | (2-cyanoacetyl)urea | (Cyanoacetyl)urea | EINECS 215-906-3 | N-(2-Cyanoacetyl)urea | Acetamide, N-(aminocarbonyl)-2-cyano- | Cya

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Canonical Smiles

C(C#N)C(=O)NC(=O)N

IUPAC Name

N-carbamoyl-2-cyanoacetamide

InChIKey

QJGRPCPCQQPZLZ-UHFFFAOYSA-N

INCHI

1S/C4H5N3O2/c5-2-1-3(8)7-4(6)9/h1H2,(H3,6,7,8,9)

Isomeric SMILES

C(C#N)C(=O)NC(=O)N

UN Number

3439

Molecular Weight

127.10

Beilstein

3,66

Reaxy-Rn

1705616

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1705616&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives
      • Subclass Ureas
        • Level5 Ureides
          • Level6 N-acyl ureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Ureas
• Intermediate Tree Nodes: Ureides
• Direct Parent: N-acyl ureas
• Alternative Parents: Dicarboximides Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl urea - Dicarboximide - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 127.100 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 127.038 Da
• Monoisotopic Mass: 127.038 Da
• Topological Polar Surface Area: 96.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 177.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1448-98-2, the molecular formula is C4H5N3O2, and the molecular weight is 127.10 g/mol. InChIKey QJGRPCPCQQPZLZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.