Bis(hexamethylene)triamine - ≥95%(T) , CAS No.143-23-7

CAS: 143-23-7 Cat. No.: B152234 Formula: C₁₂H₂₉N₃ Molecular Weight: 215.39 Beilstein Registry Number: 2323520 EC Number: 205-593-1

GRADE & PURITY ≥95%(T)

Synonyms

Bis(6-aminohexyl)amine | EINECS 205-593-1 | NSC 92231 | 1, N-(6-aminohexyl)- | Bishexamethylenetriamine | NSC92231 | NSC-92231 | UNII-BID902UF5V | 1,13-Diamino-7-azatridecane | AKOS015895016 | Dihexylenetriamine | Q27095431 | B1814 | Bis(hexamethylene)tri

Storage

Argon charged

Shipped In

Normal

Specifications

Synonyms

Bis(6-aminohexyl)amine | EINECS 205-593-1 | NSC 92231 | 1, N-(6-aminohexyl)- | Bishexamethylenetriamine | NSC92231 | NSC-92231 | UNII-BID902UF5V | 1,13-Diamino-7-azatridecane | AKOS015895016 | Dihexylenetriamine | Q27095431 | B1814 | Bis(hexamethylene)tri

Specifications & Purity

≥95%(T)

Storage

Argon charged

Shipped In

Normal

Purity

≥95%(T)

Names and Identifiers

Pubchem Sid

508812715

Canonical Smiles

C(CCCNCCCCCCN)CCN

IUPAC Name

N'-(6-aminohexyl)hexane-1,6-diamine

InChIKey

MRNZSTMRDWRNNR-UHFFFAOYSA-N

INCHI

1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2

Isomeric SMILES

C(CCCNCCCCCCN)CCN

WGK Germany

1

RTECS

MO1186250

UN Number

3267

Packing Group

I

Molecular Weight

215.39

Beilstein

2323520

Reaxy-Rn

2323517

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2323517&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 Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary 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 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

Associated Targets(non-human)

Dhps Deoxyhypusine synthase (51 Activities)

Discover Target: Dhps

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 Methanol
• Sensitivity: Moisture sensitive
• Refractive Index: 1.49
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 164°C/4mmHg(lit.)
• Melt Point(°C): 35 °C
• Molecular Weight: 215.380 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 215.236 Da
• Monoisotopic Mass: 215.236 Da
• Topological Polar Surface Area: 64.099 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 95.000
• 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