3,4-Dimethoxyphenethylamine - ≥97% , CAS No.120-20-7

CAS: 120-20-7 Cat. No.: D107923 Summenformel: C₁₀H₁₅NO₂ Molekulargewicht: 181.23 Beilstein Registry Number: 474393 EG-Nummer: 204-376-9

GRADE & PURITY ≥97%

Synonyms

AI3-23876 | DMPEA | 3,4-Di-O-methyldopamine | Dimethylmescaline | HOMOVERATRILAMINE | NSC16948 | NSC-16948 | 3,4-Dimethoxyphenethylamine, 97% | 4-13-00-02604 (Beilstein Handbook Reference) | NSC 16948 | 2-(3,4-Dimethoxyphenyl)ethanamine | 3, 4-Dimethoxybe

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Precursor for the synthesis of isoquinolines

Specifications

Synonyme

AI3-23876 | DMPEA | 3,4-Di-O-methyldopamine | Dimethylmescaline | HOMOVERATRILAMINE | NSC16948 | NSC-16948 | 3,4-Dimethoxyphenethylamine, 97% | 4-13-00-02604 (Beilstein Handbook Reference) | NSC 16948 | 2-(3,4-Dimethoxyphenyl)ethanamine | 3, 4-Dimethoxybe

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504751674

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751674

Kanonisches Lächeln

COC1=C(C=C(C=C1)CCN)OC

IUPAC Name

2-(3,4-dimethoxyphenyl)ethanamine

InChIKey

ANOUKFYBOAKOIR-UHFFFAOYSA-N

INCHI

1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3

Isomere SMILES

COC1=C(C=C(C=C1)CCN)OC

WGK Deutschland

3

RTECS

SH2300000

Molekulargewicht

181.23

Beilstein

474393

Reaxy-Rn

474393

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=474393&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenethylamines Phenoxy compounds Anisoles 2-arylethylamines Aralkylamines Alkyl aryl ethers Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenethylamine - Phenoxy compound - Anisole - 2-arylethylamine - Phenol ether - Alkyl aryl ether - Aralkylamine - Ether - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• External Descriptors: aromatic ether - alkaloid - phenylethylamine

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

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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ATM Tchem Serine-protein kinase ATM (4198 Activities)

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Homo sapiens (32628 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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AOC3 Amine oxidase, copper containing (44 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Bacillus subtilis (32866 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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FTL Ferritin light chain (43324 Activities)

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Htr3a Serotonin (5-HT) receptor (353 Activities)

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Maob Monoamine oxidase (439 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air & Moisture sensitive.
• Brechungsindex: 1.546
• Flammpunkt (°F): 446°F
• Flammpunkt (°C): 130°C
• Siedepunkt (°C): 188 °C/15 mmHg
• Schmelzpunkt (°C): 11°C
• Molekulargewicht: 181.230 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.11 Da
• Monoisotopic Mass: 181.11 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 141.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). 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 120-20-7, the molecular formula is C10H15NO2, and the molecular weight is 181.23 g/mol. InChIKey ANOUKFYBOAKOIR-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.