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

CAS: 2620-50-0 Cat. No.: P133135 Formula: C₈H₉NO₂ Molecular Weight: 151.17 Beilstein Registry Number: 19(3/4)4066 EC Number: 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

Overview

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

Specifications

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

Specifications & Purity

≥97%(GC)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(GC)

Names and Identifiers

Pubchem Sid

504754994

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754994

Canonical Smiles

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

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN

WGK Germany

3

PubChem CID

75799

Molecular Weight

151.17

Beilstein

19(3/4)4066

Reaxy-Rn

136996

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Sparingly soluble in water. (0.9 g/100 mL).
• Sensitivity: air sensitive
• Refractive Index: 1.564
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 136-137°/11mm Hg
• Molecular Weight: 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

Frequently Asked Questions

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.