1-(2,4-Dimethylphenyl)piperazine - ≥98%(GC) , CAS No.1013-76-9

CAS: 1013-76-9 Cat. No.: D154309 Molecular Weight: 190.29 EC Number: 213-797-7

GRADE & PURITY ≥98%(GC)

Synonyms

1-(2,4-Dimethylphenyl)Piperazine | 1-(2,4-dimethyl-phenyl)-piperazine | AS-15169 | RUIMBVCRNZHCRQ-UHFFFAOYSA-N | MFCD00023127 | STK802251 | EINECS 213-797-7 | FT-0629088 | Z594274068 | Piperazine, 1-(2,4-xylyl)- | 4-(2,4-dimethylphenyl)piperazine | SCHEMB

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

1-(2, 4-Dimethylphenyl)Piperazine | 1-(2, 4-dimethyl-phenyl)-piperazine | AS-15169 | RUIMBVCRNZHCRQ-UHFFFAOYSA-N | MFCD00023127 | STK802251 | EINECS 213-797-7 | FT-0629088 | Z594274068 | Piperazine, 1-(2, 4-xylyl)- | 4-(2, 4-dimethylphenyl)piperazine | SCHEMB

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C=C1)N2CCNCC2)C
• IUPAC Name: 1-(2,4-dimethylphenyl)piperazine
• InChIKey: RUIMBVCRNZHCRQ-UHFFFAOYSA-N
• INCHI: 1S/C12H18N2/c1-10-3-4-12(11(2)9-10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
• Isomeric SMILES: CC1=CC(=C(C=C1)N2CCNCC2)C
• Molecular Weight: 190.29
• Reaxy-Rn: 611230
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=611230&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines m-Xylenes Dialkylarylamines Aniline and substituted anilines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - M-xylene - Xylene - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Secondary aliphatic amine - Secondary amine - Azacycle - Organopnictogen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Refractive Index: 1.5530 to 1.5570
• Boil Point(°C): 153°C/10mmHg
• Molecular Weight: 190.280 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.147 Da
• Monoisotopic Mass: 190.147 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 175.000
• 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