1,2-Bis(3-aminopropylamino)ethane - ≥97% , CAS No.10563-26-5

CAS: 10563-26-5 Cat. No.: B102523 Molecular Weight: 174.29 Beilstein Registry Number: 2203748 EC Number: 234-147-9

GRADE & PURITY ≥97%

Synonyms

1, 3-Propanediamine, N,N''-1,2-ethanediylbis- | N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine | UNII-0EXW8894XX | 1,5,8, 12-Tetraazadodecane | 1,2-Bis(3-aminopropylamino)ethane | N,N'-BIS(.GAMMA.-AMINOPROPYL)DIAMINOETHANE | N,N'-Bis(gamma-aminopropy

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1, 3-Propanediamine, N, N''-1, 2-ethanediylbis- | N'-[2-(3-aminopropylamino)ethyl]propane-1, 3-diamine | UNII-0EXW8894XX | 1, 5, 8, 12-Tetraazadodecane | 1, 2-Bis(3-aminopropylamino)ethane | N, N'-BIS(.GAMMA.-AMINOPROPYL)DIAMINOETHANE | N, N'-Bis(gamma-aminopropy

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488182962
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182962
• Canonical Smiles: C(CN)CNCCNCCCN
• IUPAC Name: N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
• InChIKey: RXFCIXRFAJRBSG-UHFFFAOYSA-N
• INCHI: 1S/C8H22N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-10H2
• Isomeric SMILES: C(CN)CNCCNCCCN
• WGK Germany: 3
• RTECS: TX8032950
• UN Number: 2810
• Molecular Weight: 174.29
• Beilstein: 2203748
• Reaxy-Rn: 2203748
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2203748&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Dialkylamines
• Alternative Parents: Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary 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 dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
• External Descriptors: tetraamine - polyazaalkane

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

Associated Targets(Human)

CASP3 Tchem Caspase-3 (3632 Activities)

Discover Target: CASP3

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

CASP2 Tchem Caspase-2 (173 Activities)

Discover Target: CASP2

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive.
• Refractive Index: 1.491
• Flash Point(°F): 287.6 °F
• Flash Point(°C): 149°C
• Boil Point(°C): 150-160°C
• Molecular Weight: 174.290 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 174.184 Da
• Monoisotopic Mass: 174.184 Da
• Topological Polar Surface Area: 76.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 67.500
• 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. Yi Wang, Ziyi Qin, Ting Zhang, Deyi Zhang.  (2020)  Preparation and thermophysical properties of three-dimensional attapulgite based composite phase change materials.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2020.101847]

2. Wang Yi, Qin Ziyi, Guo Pengran, Li Yong, Zhang Ting.  (2019)  Preparation of attapulgite carriers with different pore structures and their effects on thermophysical properties of composite phase change materials.  AIP Advances,  9  (10):   [PMID:] [10.1063/1.5124128]

3. Chen Fan, You Liang, Hongqiang Dong, Jiale Yang, Gang Tang, Wenbing Zhang, Dandan Kong, Jianqiang Li, Yongsong Cao.  (2018)  Guanidinium ionic liquid-controlled synthesis of zeolitic imidazolate framework for improving its adsorption property.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:29859434] [10.1016/j.scitotenv.2018.05.282]

4. Jenaidullah Batur, Zunbin Duan, Ruipeng Jin, Rui Li, Yabo Xie, Xue-Feng Yu, Jian-Rong Li.  (2024)  Enhanced Catalytic Activity of Crystalline Phosphorus Nanosheets Fabricated via Solvothermal Phase Transformation.  INORGANIC CHEMISTRY,      [PMID:38861347] [10.1021/acs.inorgchem.4c01757]

5. 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]