N-Butyldiethanolamine - ≥98% , CAS No.102-79-4

CAS: 102-79-4 Cat. No.: B106251 Peso molecular: 161.24 Beilstein Registry Number: 1739642 Número EC: 203-055-0

GRADE & PURITY ≥98%

Synonyms

MFCD00002856 | AKOS009063816 | 2-(N-Butyl-N-2-hydroxyethylamino)ethanol | DTXSID1044354 | N-Butyl-N,N-bis(hydroxyethyl)amine | A896696 | SR-01000388863 | 2,2'-(Butylimino)bisethanol | 2,2-(n-Butylimino)diethanol; N-Butyldiethanolamine,[2,2?(Butylamino)die

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Product Introduction

N-butyldiethanolamine (N-N-butyldiethanolamine) is a tertiary amine. As an N-substituted diethanolamine ligand. It is compatible with chromium (II) and lanthanide (III)/rare earth salts (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Y). The reaction occurs in the presence of co-ligands, and 3 series of isomorphic 1:1 3d (Cr (III))/4f (Ln (III)) coordination cluster compounds are obtained.

Application

N-butyldiethanolamine (H2bdea, Nn-butyldiethanolamine) has been used to synthesize the following complexes (Hdnba = 3,5-dinitrobenzoic acid; Hpta = p-toluic acid; H2tpa = terephthalic acid) :

• New single core [Cu(Hbdea)2]·2Hdnba, dual core [Cu2(β-Hbdea)2(N3)2] and [Cu2(β-Hbdea)2(pta)2]·2H2O

• 1D polymer [Cu 2 (μHbdea) 2 (μ-tpa)] n ·2nH 2 O Copper (II) compound

• Quad-core 3d-4f single molecule magnet (SMM) complex

Specifications

Sinónimos

MFCD00002856 | AKOS009063816 | 2-(N-Butyl-N-2-hydroxyethylamino)ethanol | DTXSID1044354 | N-Butyl-N, N-bis(hydroxyethyl)amine | A896696 | SR-01000388863 | 2, 2'-(Butylimino)bisethanol | 2, 2-(n-Butylimino)diethanol; N-Butyldiethanolamine, [2, 2?(Butylamino)die

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504751411
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751411
• Sonrisas canónicas: CCCCN(CCO)CCO
• IUPAC Name: 2-[butyl(2-hydroxyethyl)amino]ethanol
• InChIKey: GVNHOISKXMSMPX-UHFFFAOYSA-N
• INCHI: 1S/C8H19NO2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3
• Isómeros SMILES: CCCCN(CCO)CCO
• WGK Alemania: 1
• RTECS: KK0525000
• Número ONU: 2735
• Peso molecular: 161.24
• Beilstein: 1739642
• Reaxy-Rn: 1739642
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739642&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Trialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
• 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

• Solubilidad: Solubility in water: Completely soluble
• Sensibilidad: Hygroscopic
• Índice de refracción: 1.463
• Punto de inflamación (°F): 289.4 °F
• Punto de inflamación (°C): 143 °C
• Punto de ebullición (°C): 273-275°C
• Punto de fusión (°C): -70°C
• Peso molecular: 161.240 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 161.142 Da
• Monoisotopic Mass: 161.142 Da
• Topological Polar Surface Area: 43.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 72.500
• 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

Referencias

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2. Zeyu Geng, Qin Xie, Zhongjiao Fan, Weining Sun, Wei Zhao, Junhao Zhang, Jianqiu Chen, Yun Xu.  (2021)  Investigation of tertiary amine-based PILs for ideal efficient SO2 capture from CO2.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2021.105824]

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