1-(3-Dimethylaminophenyl)ethanol - ≥98%(GC) , CAS No.5339-01-5

CAS: 5339-01-5 Cat. No.: D154381 Summenformel: C₁₀H₁₅NO Molekulargewicht: 165.24

GRADE & PURITY ≥98%(GC)

Synonyms

1-(3-(Dimethylamino)phenyl)ethanol | EN300-1236672 | DTXSID90277668 | 1-[3-(Dimethylamino)phenyl]ethanol | T71018 | 1-(3-(Dimethylamino)phenyl)ethan-1-ol | 1-(3-Dimethylaminophenyl)ethanol | MFCD00059658 | 3-Dimethylaminophenylmethylcarbinol | XYGWUVVZDWJ

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

1-(3-(Dimethylamino)phenyl)ethanol | EN300-1236672 | DTXSID90277668 | 1-[3-(Dimethylamino)phenyl]ethanol | T71018 | 1-(3-(Dimethylamino)phenyl)ethan-1-ol | 1-(3-Dimethylaminophenyl)ethanol | MFCD00059658 | 3-Dimethylaminophenylmethylcarbinol | XYGWUVVZDWJ

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Kanonisches Lächeln: CC(C1=CC(=CC=C1)N(C)C)O
• IUPAC Name: 1-[3-(dimethylamino)phenyl]ethanol
• InChIKey: XYGWUVVZDWJPBW-UHFFFAOYSA-N
• INCHI: 1S/C10H15NO/c1-8(12)9-5-4-6-10(7-9)11(2)3/h4-8,12H,1-3H3
• Isomere SMILES: CC(C1=CC(=CC=C1)N(C)C)O
• Molekulargewicht: 165.24
• Reaxy-Rn: 2830265
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2830265&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Tertiary amines
          • Ebene6 Tertiary alkylarylamines
            • Ebene7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines Secondary alcohols Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
• 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.56
• Flammpunkt (°C): 133 °C
• Siedepunkt (°C): 102°C/2mmHg(lit.)
• Molekulargewicht: 165.230 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.115 Da
• Monoisotopic Mass: 165.115 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 136.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1