2-(Dibencilamino)propano-1,3-diol - ≥97% , CAS No.246232-73-5

CAS: 246232-73-5 Cat. No.: D192284 Peso molecular: 271.35

GRADE & PURITY ≥97%

Synonyms

2-(dibenzylamino)propane-1,3-diol | WJA23273 | 2-[Bis(phenylmethyl)amino]-1,3-propanediol-d4 | A877856 | DS-3021 | GFYRDQXZVIHUKQ-UHFFFAOYSA-N | AKOS022173740 | SY004948 | 2-dibenzylamino-propane-1,3-diol | 2-(N,N-DIBENZYL)-AMINO-1,3-PROPANEDIOL | 2-(N,N-

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

2-(dibenzylamino)propane-1, 3-diol | WJA23273 | 2-[Bis(phenylmethyl)amino]-1, 3-propanediol-d4 | A877856 | DS-3021 | GFYRDQXZVIHUKQ-UHFFFAOYSA-N | AKOS022173740 | SY004948 | 2-dibenzylamino-propane-1, 3-diol | 2-(N, N-DIBENZYL)-AMINO-1, 3-PROPANEDIOL | 2-(N, N-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(CO)CO
• IUPAC Name: 2-(dibenzylamino)propane-1,3-diol
• InChIKey: GFYRDQXZVIHUKQ-UHFFFAOYSA-N
• INCHI: 1S/C17H21NO2/c19-13-17(14-20)18(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,17,19-20H,11-14H2
• Isómeros SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(CO)CO
• Peso molecular: 271.35
• Reaxy-Rn: 8556028
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8556028&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Trialkylamines 1,2-aminoalcohols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

• Punto de ebullición (°C): 455.9±35.0 °C at 760 mmHg
• Punto de fusión (°C): 81-82 °C
• Peso molecular: 271.350 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 271.157 Da
• Monoisotopic Mass: 271.157 Da
• Topological Polar Surface Area: 43.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 223.000
• 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