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

CAS: 58069-82-2 Cat. No.: U475802 분자식: H₂N¹³CONH₂ 분자량: 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

동의어

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

사양 및 순도

≥99 atom% 13C,≥98%

보관 조건

Protected from light,Room temperature,Desiccated

배송

Normal

순수함

≥99 atom% 13C,≥98%

이름과 식별자

Pubchem Sid

504759608

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

대체 CAS

57-13-6（unlabelled）

분자량

61.05

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Light and moisture sensitive
• 녹는점(°C): 132-135 °C (lit.)
• 분자량: 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