Piperonylamine - ≥97%(GC) , CAS No.2620-50-0

CAS: 2620-50-0 Cat. No.: P133135 Fórmula: C₈H₉NO₂ Peso molecular: 151.17 Beilstein Registry Number: 19(3/4)4066 Número EC: 220-056-1 PubChem CID: 75799

GRADE & PURITY ≥97%(GC)

Synonyms

1,3-Benzodioxole-5-methanamine | benzo[d][1,3]dioxol-5-ylmethylamine | (1,3-dioxaindan-5-yl)methanamine | MR1 | SB13499 | Q27463473 | NSC 75851 | 1-(1,3-benzodioxol-5-yl)methanamine | Benzo-1,3-dioxole-5-methylamine | SCHEMBL11082938 | (1,3-dioxaindan-5-y

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Piperonylamine is a metabolite of dopamine analogs. It is a pharmaceutical intermediate.

Specifications

Sinónimos

1,3-Benzodioxole-5-methanamine | benzo[d][1,3]dioxol-5-ylmethylamine | (1,3-dioxaindan-5-yl)methanamine | MR1 | SB13499 | Q27463473 | NSC 75851 | 1-(1,3-benzodioxol-5-yl)methanamine | Benzo-1,3-dioxole-5-methylamine | SCHEMBL11082938 | (1,3-dioxaindan-5-y

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,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

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 504754994
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754994
• Sonrisas canónicas: C1OC2=C(O1)C=C(C=C2)CN
• IUPAC Name: 1,3-benzodioxol-5-ylmethanamine
• InChIKey: ZILSBZLQGRBMOR-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5,9H2
• Isómeros SMILES: C1OC2=C(O1)C=C(C=C2)CN
• WGK Alemania: 3
• PubChem CID: 75799
• Peso molecular: 151.17
• Beilstein: 19(3/4)4066
• Reaxy-Rn: 136996

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: Aralkylamines Benzenoids Oxacyclic compounds Acetals Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Aralkylamine - Benzenoid - Oxacycle - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three 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

Propiedades químicas y físicas

• Solubilidad: Sparingly soluble in water. (0.9 g/100 mL).
• Sensibilidad: air sensitive
• Índice de refracción: 1.564
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 136-137°/11mm Hg
• Peso molecular: 151.160 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 140.000
• 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

Referencias

1. Hui Zhu, Suqin Wang, Ming Sheng, Shao Bo, Yu He, Zhuang Liu, Min Li, Guangtao Zhou.  (2025)  Achieving efficient red room-temperature phosphorescence in two-dimensional hybrid halide perovskites by manganese doping.  Frontiers in Chemistry,      [PMID:40191157] [10.3389/fchem.2025.1533513]

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 2620-50-0, the molecular formula is C8H9NO2, and the molecular weight is 151.17 g/mol. InChIKey ZILSBZLQGRBMOR-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.