1-((2,3-Dichlorophenyl)methyl)piperazine , CAS No.523980-04-3

CAS: 523980-04-3 Cat. No.: D1038983 Formula: C₁₁H₁₄Cl₂N₂ Peso molecolare: 245.140 Numero EC: 894-632-1

Storage

Room temperature

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Nomi e identificatori

Sorrisi canonici

C1CN(CCN1)CC2=C(C(=CC=C2)Cl)Cl

IUPAC Name

1-[(2,3-dichlorophenyl)methyl]piperazine

InChIKey

LFMDJDXSAUVJHV-UHFFFAOYSA-N

INCHI

1S/C11H14Cl2N2/c12-10-3-1-2-9(11(10)13)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2

Peso molecolare

245.140

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Phenylmethylamines Benzylamines N-alkylpiperazines Aralkylamines Aryl chlorides Trialkylamines Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - 1,2-dichlorobenzene - Phenylmethylamine - N-alkylpiperazine - Aralkylamine - Piperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Secondary amine - Azacycle - Secondary aliphatic amine - Amine - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 245.140 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 244.053 Da
• Monoisotopic Mass: 244.053 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 195.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 523980-04-3, the molecular formula is C11H14Cl2N2, and the molecular weight is 245.140 g/mol. InChIKey LFMDJDXSAUVJHV-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.