N,N-Dimethylethylenediamine Dihydrobromide - ≥99% , CAS No.1245570-04-0

CAS: 1245570-04-0 Cat. No.: N404298 Molecular Weight: 249.98 EC Number: 878-576-5 PubChem CID: 21844772

GRADE & PURITY ≥99%

Synonyms

1245570-04-0 | N,N-Dimethylethane-1,2-ethanediammonium bromide | SCHEMBL7112966 | BS-45380 | D5615 | MFCD16606002 | N1,N1-dimethylethane-1,2-diaminedihydrobromide | N1,N1-dimethylethane-1,2-diamine dihydrobromide | N',N'-dimethylethane-1,2-diamine;dihydro

Storage

Argon charged,Room temperature

Overview

Application：

Organohalide based perovskites have emerged as an important class of material for solar cell applications. The variations/substitution in organohalide cations and anions is employed for the optimization of the band gap, carrier diffusion length, and power conversion efficiency of perovskites based solar cells.

Specifications

Synonyms

1245570-04-0 | N, N-Dimethylethane-1, 2-ethanediammonium bromide | SCHEMBL7112966 | BS-45380 | D5615 | MFCD16606002 | N1, N1-dimethylethane-1, 2-diaminedihydrobromide | N1, N1-dimethylethane-1, 2-diamine dihydrobromide | N', N'-dimethylethane-1, 2-diamine;dihydro

Specifications & Purity

≥99%

Storage

Argon charged, Room temperature

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488199925
• Canonical Smiles: CN(C)CCN.Br.Br
• IUPAC Name: N',N'-dimethylethane-1,2-diamine;dihydrobromide
• InChIKey: MDXXRKKHSWLPQO-UHFFFAOYSA-N
• INCHI: 1S/C4H12N2.2BrH/c1-6(2)4-3-5;;/h3-5H2,1-2H3;2*1H
• Isomeric SMILES: CN(C)CCN.Br.Br
• PubChem CID: 21844772
• Molecular Weight: 249.98

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: Monoalkylamines Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Hydrocarbon derivative - Hydrobromide - 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: Soluble in water
• Sensitivity: Hygroscopic
• Molecular Weight: 249.980 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 249.95 Da
• Monoisotopic Mass: 247.952 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 26.700
• 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: 3

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