NSC 6038 , CAS No.2447-87-2

CAS: 2447-87-2 Cat. No.: N412275 Fórmula: C₁₃H₁₈ClNO Peso molecular: 239.74

Synonyms

SR-01000206342 | NSC 6038 | BCP32797 | SR-01000206342-1 | CAA44787 | CBMicro_011566 | BIM-0011618.P001 | AKOS003283602 | Benzamide, 4-chloro-N,N-dipropyl- | NSC6038 | NSC-6038 | 4-chloro-n,n-dipropylbenzamide | SMSF0005611 | DTXSID80947363 | 4-Chloro-N,N-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

NSC 6038 is a bioactive compound.

Specifications

Sinónimos

SR-01000206342 | NSC 6038 | BCP32797 | SR-01000206342-1 | CAA44787 | CBMicro_011566 | BIM-0011618.P001 | AKOS003283602 | Benzamide, 4-chloro-N,N-dipropyl- | NSC6038 | NSC-6038 | 4-chloro-n,n-dipropylbenzamide | SMSF0005611 | DTXSID80947363 | 4-Chloro-N,N-

Mecanismos bioquímicos y fisiológicos

NSC 6038 is a bioactive compound.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Nombres e identificadores

• Sonrisas canónicas: CCCN(CCC)C(=O)C1=CC=C(C=C1)Cl
• IUPAC Name: 4-chloro-N,N-dipropylbenzamide
• InChIKey: XKGIVKGUUFHCHB-UHFFFAOYSA-N
• INCHI: 1S/C13H18ClNO/c1-3-9-15(10-4-2)13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3
• Isómeros SMILES: CCCN(CCC)C(=O)C1=CC=C(C=C1)Cl
• Peso molecular: 239.74
• Reaxy-Rn: 7582552
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7582552&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 4-halobenzoic acids and derivatives
• Alternative Parents: Benzamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
• 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

• Peso molecular: 239.740 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 239.108 Da
• Monoisotopic Mass: 239.108 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 206.000
• 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

Preguntas frecuentes

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 2447-87-2, the molecular formula is C13H18ClNO, and the molecular weight is 239.74 g/mol. InChIKey XKGIVKGUUFHCHB-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.