N,N′-Dimethyl-1,3-propanediamine - ≥97%(GC) , CAS No.111-33-1

CAS: 111-33-1 Cat. No.: D124206 Molecular Weight: 102.18 Beilstein Registry Number: 773668 EC Number: 203-859-1

GRADE & PURITY ≥97%(GC)

Synonyms

N,N'-dimethyl-1,3-propan diamine | 1,3-Propanediamine, N1,N3-dimethyl- | 2,6-Diazaheptane | N1,N3-Dimethylpropane-1,3-diamine | methyl[3-(methylamino)propyl]amine | D90229 | D3811 | DTXSID8059398 | N,N'-Dimethylpropanediamine;N,N'-Dimethyltrimethylenediam

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

N, N'-dimethyl-1, 3-propan diamine | 1, 3-Propanediamine, N1, N3-dimethyl- | 2, 6-Diazaheptane | N1, N3-Dimethylpropane-1, 3-diamine | methyl[3-(methylamino)propyl]amine | D90229 | D3811 | DTXSID8059398 | N, N'-Dimethylpropanediamine;N, N'-Dimethyltrimethylenediam

Specifications & Purity

≥97%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488183885
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183885
• Canonical Smiles: CNCCCNC
• IUPAC Name: N,N'-dimethylpropane-1,3-diamine
• InChIKey: UQUPIHHYKUEXQD-UHFFFAOYSA-N
• INCHI: 1S/C5H14N2/c1-6-4-3-5-7-2/h6-7H,3-5H2,1-2H3
• Isomeric SMILES: CNCCCNC
• WGK Germany: 3
• Molecular Weight: 102.18
• Beilstein: 773668
• Reaxy-Rn: 773668
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773668&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 Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - 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: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Refractive Index: 1.439
• Flash Point(°F): 20°C
• Flash Point(°C): 20°C
• Boil Point(°C): 140°C
• Molecular Weight: 102.180 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 102.116 Da
• Monoisotopic Mass: 102.116 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 25.300
• 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. Hang Xu, Fujian Zhou, Yuan Li, Che Liu, Liyan Zhu, Erdong Yao.  (2023)  Performance evaluation of oil-displacement viscoelastic zwitterionic surfactant fracturing fluid.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2023.121545]

2. Mengying Yuan, Dehua Wang, Guofang Gao, Penghui Liang, Yilei Ruan, Li Feng, Xuemei Ma, Zhiyong Hu, Hailin Zhu.  (2024)  Effect of linking group on the corrosion inhibition performance of triazine-based cationic Gemini surfactants: Experimental and theoretical investigation.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2024.125451]

3. Lihuan Shang, Xue Jiang, Xinbao Zhao, Xi Huang, Xiaojuan Wang, Xue Jiang, Xiangzhan Kong, Mingkang Yao, Shanping Jiang, Ping-Pui Wong.  (2024)  Mitochondrial DNA-boosted dendritic cell-based nanovaccination triggers antitumor immunity in lung and pancreatic cancers.  Cell Reports Medicine,      [PMID:38986624] [10.1016/j.xcrm.2024.101648]