N,N-Bis(3-aminopropyl)methylamine - ≥98% , CAS No.105-83-9

CAS: 105-83-9 Cat. No.: B105353 Molecular Weight: 145.25 EC Number: 203-336-8

GRADE & PURITY ≥98%

Synonyms

N,N-bis(3-aminoprop-1-yl)-N-methylamine | AT29281 | Bis(gamma-aminopropyl)methylamine | BRN 1737155 | 1,7-DIAMINO-4-METHYL-4-AZAHEPTANE | N,N-Bis(.gamma.-aminopropyl)methylamine | EINECS 203-336-8 | FT-0629419 | WLN: Z3N1 & 3Z | N1-(3-amino-propyl)-N1-met

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

3,3′-Diamino-N-methyldipropylamine was used in the synthesis of:
• new bischromone derivatives, potential anticancer drugs
• polyamine derivatives containing dimeric quinolone, cinnoline and phthalimide moieties
• 3-(2,4-dinitroanilino)-3′-amino-N-methyldipropylamine

Specifications

Synonyms

N, N-bis(3-aminoprop-1-yl)-N-methylamine | AT29281 | Bis(gamma-aminopropyl)methylamine | BRN 1737155 | 1, 7-DIAMINO-4-METHYL-4-AZAHEPTANE | N, N-Bis(.gamma.-aminopropyl)methylamine | EINECS 203-336-8 | FT-0629419 | WLN: Z3N1 & 3Z | N1-(3-amino-propyl)-N1-met

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488180564
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180564
• Canonical Smiles: CN(CCCN)CCCN
• IUPAC Name: N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine
• InChIKey: KMBPCQSCMCEPMU-UHFFFAOYSA-N
• INCHI: 1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3
• Isomeric SMILES: CN(CCCN)CCCN
• WGK Germany: 1
• RTECS: JL9625000
• UN Number: 2810
• Molecular Weight: 145.25
• Reaxy-Rn: 1737155
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737155&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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Completely miscible; Soluble in Ether,Alcohol
• Sensitivity: air sensitive
• Refractive Index: 1.4725
• Flash Point(°F): 217.4 °F
• Flash Point(°C): 103 °C
• Boil Point(°C): 110-112°C
• Molecular Weight: 145.250 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 145.158 Da
• Monoisotopic Mass: 145.158 Da
• Topological Polar Surface Area: 55.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 57.900
• 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

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