Triisoamylamine - ≥95%(GC) , CAS No.645-41-0

CAS: 645-41-0 Cat. No.: T162243 Peso molecular: 227.44 Beilstein Registry Number: 1720770 Número EC: 211-441-5 PubChem CID: 69525

GRADE & PURITY ≥95%(GC)

Synonyms

1-Butanamine, 3-methyl-N,N-bis(3-methylbutyl)- | Tri-isoamylamin | MFCD00015054 | Triisopentylamine, technical, >=90% (GC) | 3-methyl-N,N-bis(3-methylbutyl)butan-1-amine | QKVUSSUOYHTOFQ-UHFFFAOYSA-N | tris-(3-methyl-butyl)-amine | Tris(3-methylbutyl)amin

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-Butanamine, 3-methyl-N, N-bis(3-methylbutyl)- | Tri-isoamylamin | MFCD00015054 | Triisopentylamine, technical, >=90% (GC) | 3-methyl-N, N-bis(3-methylbutyl)butan-1-amine | QKVUSSUOYHTOFQ-UHFFFAOYSA-N | tris-(3-methyl-butyl)-amine | Tris(3-methylbutyl)amin

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: 488184343
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184343
• Sonrisas canónicas: CC(C)CCN(CCC(C)C)CCC(C)C
• IUPAC Name: 3-methyl-N,N-bis(3-methylbutyl)butan-1-amine
• InChIKey: QKVUSSUOYHTOFQ-UHFFFAOYSA-N
• INCHI: 1S/C15H33N/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h13-15H,7-12H2,1-6H3
• Isómeros SMILES: CC(C)CCN(CCC(C)C)CCC(C)C
• WGK Alemania: 3
• PubChem CID: 69525
• Peso molecular: 227.44
• Beilstein: 1720770
• Reaxy-Rn: 1720767

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

• Sensibilidad: Air sensitive
• Índice de refracción: n20/D 1.433
• Punto de inflamación (°F): 170.6 °F
• Punto de inflamación (°C): 77°C(lit.)
• Punto de ebullición (°C): 270°C(lit.)
• Peso molecular: 227.430 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 227.261 Da
• Monoisotopic Mass: 227.261 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 121.000
• 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. Fangyuan Guo, Nan Yu, Yunlong Jiao, Weiyong Hong, Kang Zhou, Xugang Ji, Huixing Yuan, Haiying Wang, Aiqin Li, Guoping Wang, Gensheng Yang.  (2021)  Star polyester-based folate acid-targeting nanoparticles for doxorubicin and curcumin co-delivery to combat multidrug-resistant breast cancer.  DRUG DELIVERY,      [PMID:34463174] [10.1080/10717544.2021.1960926]

2. Song Fang, Weisong Yu, Chengliang Li, Yuedong Liu, Jun Qiu, Fanyu Kong.  (2019)  Adsorption behavior of three triazole fungicides on polystyrene microplastics.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:31466193] [10.1016/j.scitotenv.2019.07.176]

3. Dadong Liang, Yan Wang, Songyang Li, Yuqing Li, Miliang Zhang, Yang Li, Weishuai Tian, Junbo Liu, Shanshan Tang, Bo Li, Ruifa Jin.  (2016)  Study on Dicyandiamide-Imprinted Polymers with Computer-Aided Design.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  17  (11): (1750).  [PMID:27792186] [10.3390/ijms17111750]

4. Qi Nie, Jingjing Deng, Bing Xie, Tianshu Zhou.  (2023)  Enhanced-sensitivity and rapid-response for the detection of kanamycin based on ethanol-assisted AIEE effect in silver-doped gold nanoclusters.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.108831]

5. Yuchuan Liu, Zongxue Yu, Yixin Peng, Liangyan Shao, Xiuhui Li, Haojie Zeng.  (2020)  A novel photocatalytic self-cleaning TiO2 nanorods inserted graphene oxide-based nanofiltration membrane.  CHEMICAL PHYSICS LETTERS,      [PMID:] [10.1016/j.cplett.2020.137424]