N,N-Diisopropylethylenediamine - ≥97% , CAS No.121-05-1

CAS: 121-05-1 Cat. No.: D109869 Molecular Weight: 144.26 Beilstein Registry Number: 1734800 EC Number: 204-447-4

GRADE & PURITY ≥97%

Synonyms

diisopropylaminoethylamine | N,N-Bis(isopropyl)ethane-1,2-diamine | AMY40901 | N',N'-di(propan-2-yl)ethane-1,2-diamine | N,N-di(propan-2-yl)ethane-1,2-diamine | 2-Aminoethyl diisopropylamine | N-(N,N-Diisopropylamino)ethylamine | N1,N1-Diisopropyl-1,2-eth

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

diisopropylaminoethylamine | N, N-Bis(isopropyl)ethane-1, 2-diamine | AMY40901 | N', N'-di(propan-2-yl)ethane-1, 2-diamine | N, N-di(propan-2-yl)ethane-1, 2-diamine | 2-Aminoethyl diisopropylamine | N-(N, N-Diisopropylamino)ethylamine | N1, N1-Diisopropyl-1, 2-eth

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)N(CCN)C(C)C
• IUPAC Name: N',N'-di(propan-2-yl)ethane-1,2-diamine
• InChIKey: CURJNMSGPBXOGK-UHFFFAOYSA-N
• INCHI: 1S/C8H20N2/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6,9H2,1-4H3
• Isomeric SMILES: CC(C)N(CCN)C(C)C
• WGK Germany: 3
• RTECS: KV4200000
• UN Number: 2734
• Packing Group: II
• Molecular Weight: 144.26
• Beilstein: 1734800
• Reaxy-Rn: 1734800
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734800&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Fully miscible in water.
• Sensitivity: Air & Moisture Sensitive
• Refractive Index: 1.44
• Flash Point(°F): 54 °C
• Flash Point(°C): 54°C
• Boil Point(°C): 170°C
• Molecular Weight: 144.260 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 144.163 Da
• Monoisotopic Mass: 144.163 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 71.300
• 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

References

1. Yun Zhu, Fangying Yu, Yanan Tan, Lijuan Wen, Yinghong Li, Hong Yuan, Fuqiang Hu.  (2023)  Guiding Appropriate Timing of Laser Irradiation by Polymeric Micelles for Maximizing Chemo-Photodynamic Therapy.  International Journal of Nanomedicine,      [PMID:32982216] [10.2147/IJN.S256477]

2. Lei Zhou, Lei Zhang, Hui Li, Wei Shen, Ming Li, Rongxing He.  (2021)  Defect Passivation in Air-Stable Tin(IV)-Halide Single Crystal for Emissive Self-Trapped Excitons.  ADVANCED FUNCTIONAL MATERIALS,  31  (51): (2108561).  [PMID:] [10.1002/adfm.202108561]

3. 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]