Trihexylamine - ≥95%(GC) , CAS No.102-86-3

CAS: 102-86-3 Cat. No.: T162178 Peso molecular: 269.52 Beilstein Registry Number: 1755830 Número EC: 203-062-9 PubChem CID: 66022

GRADE & PURITY ≥95%(GC)

Synonyms

Tri-n-hexylamine | SCHEMBL36579 | AI3-16575 | J-525119 | FT-0600043 | MFCD00009523 | NSC 409786 | Q27273788 | N,N-Dihexyl-1-hexanamine # | N,N-dihexylhexan-1-amine | Trihexylamine | AKOS015904366 | NSC409786 | 1-Hexanamine,N-dihexyl- | Trihexylamine, tech

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

application：

Trihexylamine was used as extractant during isolation and purification of succinic acid from an Escherichia coli fermentation broth. It was employed as internal standard in screening of human hair specimens for designer drugs by ion mobility spectrometry. It was used in the synthesis of small diameter zinc oxide nanorods.

Specifications

Sinónimos

Tri-n-hexylamine | SCHEMBL36579 | AI3-16575 | J-525119 | FT-0600043 | MFCD00009523 | NSC 409786 | Q27273788 | N, N-Dihexyl-1-hexanamine # | N, N-dihexylhexan-1-amine | Trihexylamine | AKOS015904366 | NSC409786 | 1-Hexanamine, N-dihexyl- | Trihexylamine, tech

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 488183703
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183703
• Sonrisas canónicas: CCCCCCN(CCCCCC)CCCCCC
• IUPAC Name: N,N-dihexylhexan-1-amine
• InChIKey: DIAIBWNEUYXDNL-UHFFFAOYSA-N
• INCHI: 1S/C18H39N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3
• Isómeros SMILES: CCCCCCN(CCCCCC)CCCCCC
• WGK Alemania: 3
• PubChem CID: 66022
• Peso molecular: 269.52
• Beilstein: 1755830
• Reaxy-Rn: 1755828

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
• 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: Slightly miscible with water.
• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.44
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 132°C
• Punto de ebullición (°C): 265°C
• Peso molecular: 269.500 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 269.308 Da
• Monoisotopic Mass: 269.308 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 127.000
• 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

Referencias

1. Guangzhi Xu, Mingzhen Shi, Hailong Ning, Leizhi Zheng, Zhuoheng Tu, Xiaomin Zhang, Xingbang Hu, Youting Wu.  (2023)  Constructing stable protic ionic liquids with cuprous site and long alkyl chain for highly efficient separation of propylene and propane.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.124403]

2. Xiangzhe Jiang, Yihua Luo, Shuang Mu, Bojiang Meng, Wei Wang, Gang Yu, Shubo Deng.  (2024)  Structure-selectivity relationship of anion exchange resins with different quaternary amine functional groups for highly selective removal of PFAS from chromium-plating wastewater.  WATER RESEARCH,      [PMID:39522481] [10.1016/j.watres.2024.122749]