NSC 6038 , CAS No.2447-87-2

CAS: 2447-87-2 Cat. No.: N412275 分子式: C₁₃H₁₈ClNO 分子量: 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

概要

Information

NSC 6038 is a bioactive compound.

Specifications

同義語

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-

生化学的・生理学的メカニズム

NSC 6038 is a bioactive compound.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

カノニカル・スマイル

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

異性体SMILES

CCCN(CCC)C(=O)C1=CC=C(C=C1)Cl

分子量

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
    • 分類 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
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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

よくある質問

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.