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

CAS: 5339-01-5 Cat. No.: D154381 分子式: C₁₀H₁₅NO 分子量: 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

同義語

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

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

カノニカル・スマイル

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

異性体SMILES

CC(C1=CC(=CC=C1)N(C)C)O

分子量

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
    • 分類 Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 屈折率: 1.56
• 引火点（°C）: 133 °C
• 沸点（°C）: 102°C/2mmHg(lit.)
• 分子量: 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