3-Methylpiperidine - ≥97%(GC)(T) , CAS No.626-56-2

CAS: 626-56-2 Cat. No.: M158771 Peso molecular: 99.18 Beilstein Registry Number: 79807 Número EC: 210-953-6

GRADE & PURITY ≥97%(GC)(T)

Synonyms

NCGC00258431-01 | STR03044 | beta-Pipecoline | CAS-626-56-2 | MFCD00005994 | STL183255 | 3-[{4-[(e)-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]propanenitrile | 3-Methylpiperidine, 99% | AMY5569 | Tox21_200877 | (+/-)-3-methylpiperidine | 3-M

Storage

Room temperature

Shipped In

FedEx DG Service

Descripción general

Reactant for synthesis of: . Phenylpropenamide derivatives for anti-hepatitis B virus activity . CB2 receptor agonists for treatment of chronic pain . Aurora kinase inhibitors . Spiroimidazolidinone NPC1L1 inhibitors . 1,3,5-Oxadiazinones . Selective serotonin 5-HT6 receptor antagonists

Specifications

Sinónimos

NCGC00258431-01 | STR03044 | beta-Pipecoline | CAS-626-56-2 | MFCD00005994 | STL183255 | 3-[{4-[(e)-(2, 6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]propanenitrile | 3-Methylpiperidine, 99% | AMY5569 | Tox21_200877 | (+/-)-3-methylpiperidine | 3-M

Especificaciones y pureza

≥97%(GC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Pureza

≥97%(GC)(T)

Nombres e identificadores

• Pubchem Sid: 488185677
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185677
• Sonrisas canónicas: CC1CCCNC1
• IUPAC Name: 3-methylpiperidine
• InChIKey: JEGMWWXJUXDNJN-UHFFFAOYSA-N
• INCHI: 1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3
• Isómeros SMILES: CC1CCCNC1
• WGK Alemania: 3
• Número ONU: 2920
• Grupo de embalaje: I
• Peso molecular: 99.18
• Beilstein: 79807
• Reaxy-Rn: 79807
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=79807&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: It is soluble in water
• Sensibilidad: light sensitive
• Índice de refracción: 1.447
• Punto de inflamación (°F): 46°F
• Punto de inflamación (°C): 8℃
• Punto de ebullición (°C): 125-126 °C/763 mmHg
• Punto de fusión (°C): -24℃
• Peso molecular: 99.170 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 99.1048 Da
• Monoisotopic Mass: 99.1048 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 52.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Zhang Huayushuo, Ma Qian, Gao Pan, Li Bolong, Yang Xiaoxia, Li Chao, Song Mingming, Hou Zhiwei, Jiang Xiaomei.  (2025)  Halogen (Cl, Br, I) tuning of 3-methylpiperidine bismuth halides for highly sensitive, low-dose, and stable X-ray detection.  JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS,  36  (36): (2307).  [PMID:] [10.1007/s10854-025-16356-9]