N1-(2-(Dimethylamino)ethyl)-N2,N2-dimethylethane-1,2-diamine - ≥98% , CAS No.40538-81-6

CAS: 40538-81-6 Cat. No.: N589032 Molecular Weight: 159.28 EC Number: 254-966-5

GRADE & PURITY ≥98%

Synonyms

n,n,n',n'-tetramethyl diethylene triamine | 1,7,7-Tetramethyldiethylenetriamine | N-(2-(dimethylamino)ethyl)-N',N' dimethylethane-1,2-diamine | DTXSID0068236 | JPJMSWSYYHNPLD-UHFFFAOYSA-N | N1-(2-(Dimethylamino)ethyl)-N2,N2-dimethylethane-1,2-diamine | SC

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Overview

N-Methylhistamine is an amine that is insensitive to thermodynamic and kinetic methods of analysis. It has been shown that the water molecule in the N-methylhistamine molecule binds to histidine residues in proteins. This binding is irreversible and leads to denaturation of the protein, which may be related to cancer progression. N-Methylhistamine also has estrogenic properties, which may contribute to its anti-apoptotic effects.

Specifications

Synonyms

n, n, n', n'-tetramethyl diethylene triamine | 1, 7, 7-Tetramethyldiethylenetriamine | N-(2-(dimethylamino)ethyl)-N', N' dimethylethane-1, 2-diamine | DTXSID0068236 | JPJMSWSYYHNPLD-UHFFFAOYSA-N | N1-(2-(Dimethylamino)ethyl)-N2, N2-dimethylethane-1, 2-diamine | SC

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN(C)CCNCCN(C)C
• IUPAC Name: N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine
• InChIKey: JPJMSWSYYHNPLD-UHFFFAOYSA-N
• INCHI: 1S/C8H21N3/c1-10(2)7-5-9-6-8-11(3)4/h9H,5-8H2,1-4H3
• Isomeric SMILES: CN(C)CCNCCN(C)C
• Molecular Weight: 159.28
• Reaxy-Rn: 1739669
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739669&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: Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Secondary amine - Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - 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

• Boil Point(°C): 195°C - 197°C
• Molecular Weight: 159.270 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 159.174 Da
• Monoisotopic Mass: 159.174 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 71.400
• 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