4-(1-Methylpiperidin-4-yl)aniline - ≥95% , CAS No.454482-12-3

CAS: 454482-12-3 Cat. No.: M589162 Peso molecular: 190.29

GRADE & PURITY ≥95%

Synonyms

BB 0252203 | 4-(4-AMINOPHENYL)-1-METHYLPIPERIDINE | Benzenamine, 4-(1-methyl-4-piperidinyl)- | AKOS006230313 | FT-0649739 | DTXSID10620819 | J-513232 | SCHEMBL158531 | BNYVBWBKNDWCQW-UHFFFAOYSA-N | AB30375 | 4-(1-Methyl-4-piperidinyl)aniline, AldrichCPR |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

BB 0252203 | 4-(4-AMINOPHENYL)-1-METHYLPIPERIDINE | Benzenamine, 4-(1-methyl-4-piperidinyl)- | AKOS006230313 | FT-0649739 | DTXSID10620819 | J-513232 | SCHEMBL158531 | BNYVBWBKNDWCQW-UHFFFAOYSA-N | AB30375 | 4-(1-Methyl-4-piperidinyl)aniline, AldrichCPR |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504769105
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769105
• Sonrisas canónicas: CN1CCC(CC1)C2=CC=C(C=C2)N
• IUPAC Name: 4-(1-methylpiperidin-4-yl)aniline
• InChIKey: BNYVBWBKNDWCQW-UHFFFAOYSA-N
• INCHI: 1S/C12H18N2/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-5,11H,6-9,13H2,1H3
• Isómeros SMILES: CN1CCC(CC1)C2=CC=C(C=C2)N
• Peso molecular: 190.29
• Reaxy-Rn: 11404103
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11404103&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Aniline and substituted anilines Aralkylamines Trialkylamines Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Aniline or substituted anilines - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine 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

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 190.280 g/mol
• XLogP3: 1.800
• 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: 29.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 165.000
• 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