Urea Standard Solution (calculated as N) - 1000.0 mg/L in water , CAS No.57-13-6

CAS: 57-13-6 Cat. No.: U119692 Fórmula: H₂NCONH₂ Peso molecular: 60.06 Beilstein Registry Number: 635724 Número CE: 200-315-5 PubChem CID: 1176

GRAU & PUREZA 1000.0 mg/L in water

Synonyms

Carbonyldiamide | Onychomal | Ultra Mide | UNII-8W8T17847W | UREA [EP MONOGRAPH] | UREA COMPONENT OF CALMURID HC | Ureacin-10 lotion | EINECS 200-315-5 | Urevert | CALMURID HC COMPONENT UREA | Carbamide;Carbonyldiamide | Carbonyldiamine | Panafil | Urea (

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

Carbonyldiamide | Onychomal | Ultra Mide | UNII-8W8T17847W | UREA [EP MONOGRAPH] | UREA COMPONENT OF CALMURID HC | Ureacin-10 lotion | EINECS 200-315-5 | Urevert | CALMURID HC COMPONENT UREA | Carbamide;Carbonyldiamide | Carbonyldiamine | Panafil | Urea (

Especificações e pureza

1000.0 mg/L in water

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

Sorrisos canónicos

C(=O)(N)N

IUPAC Name

urea

InChIKey

XSQUKJJJFZCRTK-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

C(=O)(N)N

WGK Alemanha

1

RTECS

YR6250000

PubChem CID

1176

Peso molecular

60.06

Beilstein

635724

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrição: 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: a small molecule

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

Alvos associados (humanos)

OR51E2 Tchem Olfactory receptor 51E2 (2 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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Homo sapiens (32628 Activities)

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Caco-2 (12174 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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Skin (286 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

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C5 Tclin Complement C5 (49 Activities)

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Alvos associados (não humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Rattus norvegicus (775804 Activities)

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lef Anthrax lethal factor (7585 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Brain (1 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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ureB Urease subunit alpha/Urease subunit beta (701 Activities)

Discover Target: ureB

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SARS-CoV-2 (38078 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 132-135 °C (lit.)
• Peso molecular: 60.056 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 60.0324 Da
• Monoisotopic Mass: 60.0324 Da
• Topological Polar Surface Area: 69.100 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 29.000
• 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