N-tert-Butylurea - ≥95% , CAS No.1118-12-3

CAS: 1118-12-3 Cat. No.: N343122 Peso molecular: 116.16

GRADE & PURITY ≥95%

Synonyms

DTXCID8024365 | NSC4604 | NSC-4604 | AKOS000120185 | FT-0633346 | DTXSID0044365 | NCGC00255818-01 | tert-butyl isourea | SCHEMBL23828 | Z104473904 | CAS-1118-12-3 | UREA, tert-BUTYL- | N-(1,1-dimethylethyl)urea | T81TP489AF | t-butylurea | 1-tert-Butylure

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

DTXCID8024365 | NSC4604 | NSC-4604 | AKOS000120185 | FT-0633346 | DTXSID0044365 | NCGC00255818-01 | tert-butyl isourea | SCHEMBL23828 | Z104473904 | CAS-1118-12-3 | UREA, tert-BUTYL- | N-(1, 1-dimethylethyl)urea | T81TP489AF | t-butylurea | 1-tert-Butylure

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)NC(=O)N
• IUPAC Name: tert-butylurea
• InChIKey: JLEHSYHLHLHPAL-UHFFFAOYSA-N
• INCHI: 1S/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)
• Isómeros SMILES: CC(C)(C)NC(=O)N
• WGK Alemania: 2
• RTECS: YS3680000
• Peso molecular: 116.16
• Reaxy-Rn: 1744501
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744501&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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: 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

Propiedades químicas y físicas

• Sensibilidad: light sensitive; air sensitive
• Punto de ebullición (°C): ~163.7° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 185° C (dec.)
• Peso molecular: 116.160 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 116.095 Da
• Monoisotopic Mass: 116.095 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 93.100
• 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