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

CAS: 1484-85-1 Cat. No.: H181599 Fórmula: C₉H₁₁NO₂ Peso molecular: 165.19 Número CE: 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

Sinónimos

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

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 508807981
• Sorrisos canónicos: 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
• SMILES isoméricas: C1OC2=C(O1)C=C(C=C2)CCN
• Peso molecular: 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
    • Classe Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

Homo sapiens (32628 Activities)

Explore this target

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

Alvos associados (não humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: air sensitive，heat sensitive
• Ponto de inflamação (°C): 130 °C
• Ponto de ebulição (°C): 166 °C/20 mmHg
• Peso molecular: 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

Referências

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]