N,N,N',N'-Tetramethyl-1,6-diaminohexane(TMHDA) - ≥99% , CAS No.111-18-2

CAS: 111-18-2 Cat. No.: T124565 Molecular Weight: 172.31 Beilstein Registry Number: 4(1)423 EC Number: 203-842-9

GRADE & PURITY ≥99%

Synonyms

(CH3)2N(CH2)6N(CH3)2 | 4-04-00-01322 (Beilstein Handbook Reference) | SMR001307283 | AI3-26634 | DTXSID5033701 | NCGC00090921-01 | W-108679 | DTXCID3013701 | MFCD00008339 | tetramethylhexamethylenediamine | N, N, N', N'-tetramethyl-1,6-hexane diamine | n,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(CH3)2N(CH2)6N(CH3)2 | 4-04-00-01322 (Beilstein Handbook Reference) | SMR001307283 | AI3-26634 | DTXSID5033701 | NCGC00090921-01 | W-108679 | DTXCID3013701 | MFCD00008339 | tetramethylhexamethylenediamine | N, N, N', N'-tetramethyl-1, 6-hexane diamine | n,

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488180691
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180691
• Canonical Smiles: CN(C)CCCCCCN(C)C
• IUPAC Name: N,N,N',N'-tetramethylhexane-1,6-diamine
• InChIKey: TXXWBTOATXBWDR-UHFFFAOYSA-N
• INCHI: 1S/C10H24N2/c1-11(2)9-7-5-6-8-10-12(3)4/h5-10H2,1-4H3
• Isomeric SMILES: CN(C)CCCCCCN(C)C
• WGK Germany: 1
• RTECS: MO1370000
• Molecular Weight: 172.31
• Beilstein: 4(1)423
• Reaxy-Rn: 1738567

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 Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary 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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in dichloromethane, acetone, ethanol, toluene
• Refractive Index: 1.4350 to 1.4380
• Flash Point(°F): 167 °F
• Boil Point(°C): 210°C
• Molecular Weight: 172.310 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 172.194 Da
• Monoisotopic Mass: 172.194 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 77.800
• 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

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