alcohol 3-(dimetilamino)bencílico - ≥97% , CAS No.23501-93-1

CAS: 23501-93-1 Cat. No.: D168867 Peso molecular: 151.21 Número EC: 245-700-9

GRADE & PURITY ≥97%

Synonyms

DTXSID70178068 | 3-Dimethylaminobenzylalcohol | m-(Dimethylamino)benzyl alcohol | 3-(Dimethylamino)benzyl alcohol, 97% | AMY41817 | Benzyl alcohol, m-(dimethylamino)- | EINECS 245-700-9 | 3-Dimethylaminobenzyl alcohol | (3(dimethylamino)phenyl)methanol |

Storage

Temperatura ambiente

Shipped In

Normal

Descripción general

el alcohol 3-(dimetilamino)bencílico puede utilizarse en la preparación de yoduro de (3-hidroximetilfenil)trimetilamonio reaccionando con yoduro de metilo.

Specifications

Sinónimos

DTXSID70178068 | 3-Dimethylaminobenzylalcohol | m-(Dimethylamino)benzyl alcohol | 3-(Dimethylamino)benzyl alcohol, 97% | AMY41817 | Benzyl alcohol, m-(dimethylamino)- | EINECS 245-700-9 | 3-Dimethylaminobenzyl alcohol | (3(dimethylamino)phenyl)methanol |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488186598
• Sonrisas canónicas: CN(C)C1=CC=CC(=C1)CO
• IUPAC Name: [3-(dimethylamino)phenyl]methanol
• InChIKey: YTUXZVSDDHCTBZ-UHFFFAOYSA-N
• INCHI: 1S/C9H13NO/c1-10(2)9-5-3-4-8(6-9)7-11/h3-6,11H,7H2,1-2H3
• Isómeros SMILES: CN(C)C1=CC=CC(=C1)CO
• WGK Alemania: 3
• Peso molecular: 151.21
• Reaxy-Rn: 2082552
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2082552&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyl alcohols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Tertiary amine - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.577
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 282-283 °C
• Peso molecular: 151.210 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.1 Da
• Monoisotopic Mass: 151.1 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 114.000
• 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