Methoxytyramine solution - analytical standard, 1.00mg/ml in methanol , CAS No.1477-68-5

CAS: 1477-68-5 Cat. No.: M121758 Formula: CH₃OC₆H₃-4-(OH)CH₂CH₂NH₂·HCl Peso molecolare: 203.67 Beilstein Registry Number: 3631283 Numero EC: 216-035-1

GRADE & PURITY Analytical standard, 1.00mg/ml in methanol

Synonyms

3-MT | 5-(2-Aminoethyl)guaiacol HCl | MFCD00012902 | SY062385 | 13,14-dihydro Prostaglandin F2 alpha | DTXSID801017284 | PD021165 | NSC 172190 | AWRIOTVUTPLWLF-UHFFFAOYSA-N | MLS002153361 | 3-Methoxytyramine (hydrochloride) | DTXSID40163784 | UNII-95HIL68

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

3-MT | 5-(2-Aminoethyl)guaiacol HCl | MFCD00012902 | SY062385 | 13,14-dihydro Prostaglandin F2 alpha | DTXSID801017284 | PD021165 | NSC 172190 | AWRIOTVUTPLWLF-UHFFFAOYSA-N | MLS002153361 | 3-Methoxytyramine (hydrochloride) | DTXSID40163784 | UNII-95HIL68

Specifiche e purezza

analytical standard, 1.00mg/ml in methanol

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Nomi e identificatori

• Pubchem Sid: 528773628
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528773628
• Sorrisi canonici: COC1=C(C=CC(=C1)CCN)O.Cl
• IUPAC Name: 4-(2-aminoethyl)-2-methoxyphenol;hydrochloride
• InChIKey: AWRIOTVUTPLWLF-UHFFFAOYSA-N
• INCHI: 1S/C9H13NO2.ClH/c1-12-9-6-7(4-5-10)2-3-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H
• Isomeri SMILES: COC1=C(C=CC(=C1)CCN)O.Cl
• WGK Germania: 3
• Peso molecolare: 203.67
• Beilstein: 3631283
• Reaxy-Rn: 3631283
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3631283&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenethylamines Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Quaternary ammonium salts Organic zwitterions Organic chloride salts Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenethylamine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Quaternary ammonium salt - Ether - Primary amine - Organic zwitterion - Amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organic chloride salt - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive
• Peso molecolare: 203.660 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 203.071 Da
• Monoisotopic Mass: 203.071 Da
• Topological Polar Surface Area: 55.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 130.000
• 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: 2

XLogP3