Homopiperonylamine - ≥95% , CAS No.1484-85-1

CAS: 1484-85-1 Cat. No.: H181599 Molecular Weight: 165.19 EC Number: 216-060-8

GRADE & PURITY ≥95%

Synonyms

Homopiperonylamin | 1-Cyclohexen-3-ol | 3,4-(Methylenedioxyphenyl)ethylamine | DTXSID00163982 | 2-(3,4-Methylenedioxyphenyl)ethylamine | EN300-13795 | 1,3-benzodioxole-5-ethanamine | BCP15477 | Phenethylamine, 3,4-methylenedioxy- | 3,4-Methylenedioxyphene

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Homopiperonylamin | 1-Cyclohexen-3-ol | 3, 4-(Methylenedioxyphenyl)ethylamine | DTXSID00163982 | 2-(3, 4-Methylenedioxyphenyl)ethylamine | EN300-13795 | 1, 3-benzodioxole-5-ethanamine | BCP15477 | Phenethylamine, 3, 4-methylenedioxy- | 3, 4-Methylenedioxyphene

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Canonical Smiles: C1OC2=C(O1)C=C(C=C2)CCN
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethanamine
• InChIKey: RRIRDPSOCUCGBV-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3-4,6,10H2
• Isomeric SMILES: C1OC2=C(O1)C=C(C=C2)CCN
• Molecular Weight: 165.19
• Reaxy-Rn: 383838
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=383838&ln=

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: Phenethylamines 2-arylethylamines Aralkylamines Oxacyclic compounds Acetals Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Phenethylamine - 2-arylethylamine - Aralkylamine - Benzenoid - Acetal - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - 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

Associated Targets(Human)

Homo sapiens (32628 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Taar1 Trace amine-associated receptor 1 (899 Activities)

Discover Target: Taar1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive，heat sensitive
• Flash Point(°C): 130 °C
• Boil Point(°C): 166 °C/20 mmHg
• Molecular Weight: 165.190 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.079 Da
• Monoisotopic Mass: 165.079 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 151.000
• 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

References

1. Dongqin Tan, Chang Han, Zhonglin Yu, Xiaoli Sun, Jingwu Chen, Dhanjai, Xueting Shao, Degao Wang.  (2021)  Dummy molecularly imprinted polymers for class-selective extraction of amphetamine-type stimulants from alcoholic and nonalcoholic beverages.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:34986443] [10.1016/j.chroma.2021.462759]

2. Ya Sun, Ziwen Zhao, Jie Zhao, Lide Hu, Yawei Shi, Mengqi Li.  (2025)  Dummy Molecularly Imprinted Polymer Nanochannel Sensor for Ultrasensitive Detection of Aniline Compounds.  TALANTA,      [PMID:40228455] [10.1016/j.talanta.2025.128123]