N,N,2,2-Tetramethyl-1,3-propanediamine - ≥98%(GC)(T) , CAS No.53369-71-4

CAS: 53369-71-4 Cat. No.: N159356 Peso molecular: 130.24 Número EC: 258-501-7

GRADE & PURITY ≥98%(GC)(T)

Synonyms

1,3-Propanediamine, N1,N1,2,2-tetramethyl- | FT-0629558 | MFCD00044018 | N,N,2,2-Tetramethyl-1,3-propanediamine | (3-amino-2,2-dimethylpropyl)dimethylamine | InChI=1/C7H18N2/c1-7(2,5-8)6-9(3)4/h5-6,8H2,1-4H3 | 2,2,N*1*,N*1*-Tetramethyl-propane-1,3-diamine

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1, 3-Propanediamine, N1, N1, 2, 2-tetramethyl- | FT-0629558 | MFCD00044018 | N, N, 2, 2-Tetramethyl-1, 3-propanediamine | (3-amino-2, 2-dimethylpropyl)dimethylamine | InChI=1/C7H18N2/c1-7(2, 5-8)6-9(3)4/h5-6, 8H2, 1-4H3 | 2, 2, N*1*, N*1*-Tetramethyl-propane-1, 3-diamine

Especificaciones y pureza

≥98%(GC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)(T)

Nombres e identificadores

• Sonrisas canónicas: CC(C)(CN)CN(C)C
• IUPAC Name: N',N',2,2-tetramethylpropane-1,3-diamine
• InChIKey: ULDIVZQLPBUHAG-UHFFFAOYSA-N
• INCHI: 1S/C7H18N2/c1-7(2,5-8)6-9(3)4/h5-6,8H2,1-4H3
• Isómeros SMILES: CC(C)(CN)CN(C)C
• WGK Alemania: 3
• Número ONU: 2734
• Grupo de embalaje: II
• Peso molecular: 130.24
• Reaxy-Rn: 1734347
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734347&ln=

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 Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive,Hygroscopic
• Índice de refracción: 1.4340 to 1.4380
• Punto de inflamación (°F): 96.8 °F
• Punto de inflamación (°C): 35°C
• Punto de ebullición (°C): 153°C
• Peso molecular: 130.229 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 130.147 Da
• Monoisotopic Mass: 130.147 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 77.000
• 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. Shuhua Cao, Fahui Li, Qian Xu, Meng Yao, Shun Wang, Yunjun Zhou, Xiaotong Cui, Ruolin Man, Kaoxue Li, Xishi Tai.  (2021)  Synthesis, crystal structure of a novel tetranuclear Cu (Ⅱ) complex and its application in GSH-triggered generation of reactive oxygen species for chemodynamic therapy.  Journal of Saudi Chemical Society,      [PMID:] [10.1016/j.jscs.2021.101372]

2. Zunbin Duan, Rui Li, He Bian, Yanfang Wang, Xue Zhang, Ziqiang Cheng, Danni Liu, Yang Li, Shuai Zhang, Guangbo Qu, Paul K. Chu, Jiahong Wang.  (2025)  Large-Scale synthesis of crystalline phosphorus nanosheets with superior air-water stability and flame-retardancy ability.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.159566]

3. Shuhua Cao, Xuezhao Li, Yong Gao, Fahui Li, Kaoxue Li, Xuanxuan Cao, Yiwen Dai, Lirong Mao, Shanshan Wang, Xishi Tai.  (2020)  A simultaneously GSH-depleted bimetallic Cu(II) complex for enhanced chemodynamic cancer therapy.  DALTON TRANSACTIONS,  49  (34): (11851-11858).  [PMID:32700693] [10.1039/D0DT01742F]