N-Ethylbutylamine - ≥99%(GC) , CAS No.13360-63-9

CAS: 13360-63-9 Cat. No.: N158928 Peso molecular: 101.19 Beilstein Registry Number: 1731320 Número EC: 236-415-0

GRADE & PURITY ≥99%(GC)

Synonyms

F2190-0313 | NCGC00091782-01 | EC 236-415-0 | EN300-18956 | 4-04-00-00547 (Beilstein Handbook Reference) | Butylamine, N-ethyl- | Butyl(ethyl)amine | CAS-13360-63-9 | EINECS 236-415-0 | N-Ethylbutylamine | N-Ethyl-n-butylamine | N-ethyl-n-butyl-amine | CC

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Sinónimos

F2190-0313 | NCGC00091782-01 | EC 236-415-0 | EN300-18956 | 4-04-00-00547 (Beilstein Handbook Reference) | Butylamine, N-ethyl- | Butyl(ethyl)amine | CAS-13360-63-9 | EINECS 236-415-0 | N-Ethylbutylamine | N-Ethyl-n-butylamine | N-ethyl-n-butyl-amine | CC

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Desiccated, Cool

Enviado en

Normal

Pureza

≥99%(GC)

Nombres e identificadores

• Pubchem Sid: 488182986
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182986
• Sonrisas canónicas: CCCCNCC
• IUPAC Name: N-ethylbutan-1-amine
• InChIKey: QHCCDDQKNUYGNC-UHFFFAOYSA-N
• INCHI: 1S/C6H15N/c1-3-5-6-7-4-2/h7H,3-6H2,1-2H3
• Isómeros SMILES: CCCCNCC
• WGK Alemania: 1
• RTECS: EO4880000
• Número ONU: 1992
• Grupo de embalaje: I
• Peso molecular: 101.19
• Beilstein: 1731320
• Reaxy-Rn: 1731324
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731324&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Secondary amines
          • Level6 Dialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Dialkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two 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

Objetivos asociados (humanos)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive，Light sensitive
• Índice de refracción: 1.4
• Punto de inflamación (°F): 53.6 °F
• Punto de inflamación (°C): 12 °C
• Punto de ebullición (°C): 108°C
• Peso molecular: 101.190 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 101.12 Da
• Monoisotopic Mass: 101.12 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 27.400
• 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. Su Zhang, Litao Wang, Jiandong Wang, Jie Yang, Lina Fu, Zihui Cai, Yujie Fu.  (2021)  A novel in situ transesterification of yellow horn seeds to biodiesel using a dual function switchable solvent.  FUEL,      [PMID:] [10.1016/j.fuel.2021.122974]

2. Jie Qi, Jingru Liu, Lihua Shui, Zhenyu Hao, Guijiang Yan, Na Wang, Hongsheng Lu, Yan Xiong.  (2024)  Switchable hydrophilicity solvents incorporating hydrophilic deep eutectic solvents: A sustainable alternative for oil-based drilling cuttings washing.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2024.140976]

3. Jie Qi, Jian Lan, Shaoyang Liu, Li Tong, Yuzhe Li, Na Wang, Zheng Zhang, Hongsheng Lu.  (2024)  Ultra-sensitive CO2 switchable low temperature transition mixture for intensified retrieval of oily waste.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.157071]

4. Fei Duan, Jiangtao Hao, Hua Zhang, Jindong Liu, Yan Guo, Cheng Zhang, Ankun Xie, Kellen Mitchell, Lily Raymond, Sai Ma, Lei Liu, Yifei Jin, Danyang Zhao.  (2025)  Additive-free ultrafast-curing-enabled 3D printing of high-strength blocked polyurethane elastomer.  MATERIALS & DESIGN,      [PMID:] [10.1016/j.matdes.2025.114600]

5. Jian-Dong Wang, Qi Gu, Zi-Hui Cai, Guo-Sheng Liu, Quan Zhou, Li-Na Fu, Shi-Liang Yang, Su Zhang, Yujie Fu.  (2023)  Efficient Extraction and Mechanism Analysis of Different Polarity Phytochemicals from Rosa roxburghii by a Green CO2-Responsive Switchable Solvent Combined with Ultrasound.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.3c06085]

6. Jingru Liu, Zhenyu Hao, Jie Qi, Li Tong, Hongsheng Lu, Shucai Zhang.  (2025)  CO2 Switchable Solvent System Comprising Hydrophilic Deep Eutectic Solvent and N-Ethylbutylamine for Enhanced Treatment of Oily Solid Waste.  ENERGY & FUELS,      [PMID:] [10.1021/acs.energyfuels.5c04930]