Urea-¹³C - ≥99 atom% 13C,≥98% , CAS No.58069-82-2

CAS: 58069-82-2 Cat. No.: U475802 Formula: H₂N¹³CONH₂ Molecular Weight: 61.05

GRADE & PURITY ≥99 atom% 13C,≥98%

Synonyms

Urea C 13, United States Pharmacopeia (USP) Reference Standard | 13-c-urea | 13C-urea | Breathtek ubt for h-pylori | Urea C13 | UREA C-13 | Pylori-chek breath test | Carbamide-13C | Urea-13C, 99 atom % 13C, UBT Grade | Carbon 13 urea | Urea C 13 [USP] | A

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

Urea C 13, United States Pharmacopeia (USP) Reference Standard | 13-c-urea | 13C-urea | Breathtek ubt for h-pylori | Urea C13 | UREA C-13 | Pylori-chek breath test | Carbamide-13C | Urea-13C, 99 atom % 13C, UBT Grade | Carbon 13 urea | Urea C 13 [USP] | A

Specifications & Purity

≥99 atom% 13C,≥98%

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Purity

≥99 atom% 13C,≥98%

Names and Identifiers

Pubchem Sid

504759608

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759608

Canonical Smiles

C(=O)(N)N

IUPAC Name

diamino(113C)methanone

InChIKey

XSQUKJJJFZCRTK-OUBTZVSYSA-N

INCHI

1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1

Isomeric SMILES

[13C](=O)(N)N

Alternate CAS

57-13-6（unlabelled）

Molecular Weight

61.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives
      • Subclass Ureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Ureas
• Intermediate Tree Nodes: Not available
• Direct Parent: Ureas
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Urea - 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 ureas. These are compounds containing two amine groups joined by a carbonyl (C=O) functional group.
• External Descriptors: urea

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: Light and moisture sensitive
• x_melt_point_char: 132-135 °C (lit.)
• Molecular Weight: 61.048 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 61.0357 Da
• Monoisotopic Mass: 61.0357 Da
• Topological Polar Surface Area: 69.100 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 29.000
• Isotope Atom Count: 1
• 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