N,N'-Di-tert-butylethylenediamine - ≥98%(GC) , CAS No.4062-60-6

CAS: 4062-60-6 Cat. No.: N159342 Peso molecular: 172.32 Beilstein Registry Number: 1738430 Número EC: 223-769-6

GRADE & PURITY ≥98%(GC)

Synonyms

1,2-Bis(tert-butylamino)ethane

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

N,N'-Di-tert-butylethylenediamine is used as a primary and secondary intermediate. It is also used as a pharmaceutical intermediate.

Specifications

Sinónimos

1, 2-Bis(tert-butylamino)ethane

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488185443
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185443
• Sonrisas canónicas: CC(C)(C)NCCNC(C)(C)C
• IUPAC Name: N,N'-ditert-butylethane-1,2-diamine
• InChIKey: KGHYGBGIWLNFAV-UHFFFAOYSA-N
• INCHI: 1S/C10H24N2/c1-9(2,3)11-7-8-12-10(4,5)6/h11-12H,7-8H2,1-6H3
• Isómeros SMILES: CC(C)(C)NCCNC(C)(C)C
• WGK Alemania: 3
• RTECS: KH8587137
• Número ONU: 2735
• Grupo de embalaje: III
• Peso molecular: 172.32
• Beilstein: 1738430
• Reaxy-Rn: 1738432
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738432&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

Propiedades químicas y físicas

• Solubilidad: Soluble (33 g/L) (25°C)
• Sensibilidad: Air sensitive；Moisture sensitive
• Índice de refracción: 1.43
• Punto de inflamación (°C): 62 °C
• Punto de ebullición (°C): 196-198 ℃
• Punto de fusión (°C): 53℃
• Peso molecular: 172.310 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 172.194 Da
• Monoisotopic Mass: 172.194 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 101.000
• 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. Yujia Hao, Guangming Zhu, Ben Li.  (2024)  Self-Healing Polyurethane-Urea Elastomers with High Strength and Toughness Based on Dynamic Hindered Urea Bonds and Hydrogen Bonds.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.4c02340]

2. Zhi-Wei Chen, Jing Mu, Meng-Zhen Song, Zhi-Meng Sui, Xiao Chen, Yun-Xia Li, Yu-Fang Wu, Liao-Kuo Gong, Pei-Pei Luo, Xiao-Wu Lei.  (2025)  Rapid and Large-Scale Syntheses of Microcrystal Cuprous Halide Scintillators for X-ray Imaging.  INORGANIC CHEMISTRY,      [PMID:40968083] [10.1021/acs.inorgchem.5c03323]

3. Li Yan Mei, Zhang Ze Ping, Rong Min Zhi, Zhang Ming Qiu.  (2022)  Tailored modular assembly derived self-healing polythioureas with largely tunable properties covering plastics, elastomers and fibers.  Nature Communications,  13  (1): (1-10).  [PMID:35551199] [10.1038/s41467-022-30364-x]

4. Mingsheng Li, Yiming Xu, Shizhe Peng, Shiyang Yi, Jingwen Li, Zhongqi Guo, Yonghong Cheng, Lei Zhang.  (2025)  Mechanical and Electrical Robust Self-Healable and Recyclable Silicone Elastomer via Combed Siloxane Precursor.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.57687]

5. Qi Wang, Wei Jiang, Tian-Ci Liu, Hao-Ran Liu, Rui-Rui Hu, Wei-Xiao Sun, Fang-Ting Guo, Bing Hu, Xiao-Wu Lei.  (2025)  Organic Indium Halides with Near-Unity Photoluminescence Quantum Yields for Highly Efficient Luminescent Inks and White Light Emitting Diodes.  ACS Applied Materials & Interfaces,      [PMID:40202305] [10.1021/acsami.4c18587]

6. Jianhua Zhou, Jing Zheng, Fangxin Dong.  (2026)  Photothermal Self-Healing Waterborne Polyurethane with Antibacterial, Hydrophobic, and Oleophobic Properties Based on Dynamic Hindered Urea Bonds.  MACROMOLECULAR RAPID COMMUNICATIONS,      [PMID:41508906] [10.1002/marc.202500734]