4-(4-Methyl-1-piperazinyl)aniline - ≥98% , CAS No.16153-81-4

CAS: 16153-81-4 Cat. No.: M121860 Peso molecular: 191.27 Beilstein Registry Number: 23(5)1,386 Número EC: 675-543-5

GRADE & PURITY ≥98%

Synonyms

4-(4-methyl-piperazin-1-yl) -phenylamine | 4-(4-Methylpiperazino) aniline | BB 0216416 | FT-0616653 | 4-Methyl-1-(4-aminophenyl)piperazine | SY002954 | 4-(4-methylpiperazin-1-yl)benzeneamine | 4-(4-Methyl-piperazin-1-yl)-phenylamine | 4-(4-Methylpiperazin

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-(4-methyl-piperazin-1-yl) -phenylamine | 4-(4-Methylpiperazino) aniline | BB 0216416 | FT-0616653 | 4-Methyl-1-(4-aminophenyl)piperazine | SY002954 | 4-(4-methylpiperazin-1-yl)benzeneamine | 4-(4-Methyl-piperazin-1-yl)-phenylamine | 4-(4-Methylpiperazin

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760080
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760080
• Sonrisas canónicas: CN1CCN(CC1)C2=CC=C(C=C2)N
• IUPAC Name: 4-(4-methylpiperazin-1-yl)aniline
• InChIKey: MOZNZNKHRXRLLF-UHFFFAOYSA-N
• INCHI: 1S/C11H17N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
• Isómeros SMILES: CN1CCN(CC1)C2=CC=C(C=C2)N
• Peso molecular: 191.27
• Beilstein: 23(5)1,386
• Reaxy-Rn: 158629
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=158629&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Aniline and substituted anilines N-methylpiperazines Trialkylamines Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - N-methylpiperazine - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organopnictogen compound - Amine - Primary amine - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: 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

Objetivos asociados (humanos)

ESR2 Tclin Estrogen receptor beta (9272 Activities)

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ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)

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SSTR4 Tclin Somatostatin receptor 4 (1125 Activities)

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GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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PTK2B Tclin Protein tyrosine kinase 2 beta (2827 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

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GFER Tchem FAD-linked sulfhydryl oxidase ALR (1466 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

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CHRNB2 Tclin Neuronal acetylcholine receptor; alpha4/beta2 (3972 Activities)

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RAD54L Tbio DNA repair and recombination protein RAD54-like (409 Activities)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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RACGAP1 Tbio Rac GTPase-activating protein 1 (2057 Activities)

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Objetivos asociados (no humanos)

Mapt Microtubule-associated protein tau (6 Activities)

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Impa1 Inositol monophosphatase 1 (16203 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air Sensitive
• Punto de ebullición (°C): 180°C/5mmHg
• Punto de fusión (°C): 91°C
• Peso molecular: 191.270 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 191.142 Da
• Monoisotopic Mass: 191.142 Da
• Topological Polar Surface Area: 32.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 167.000
• 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