1,5-Dimethylhexylamine hydrochloride - 10mM in DMSO , CAS No.5984-59-8

CAS: 5984-59-8 Cat. No.: D424977 Molecular Weight: 165.70 EC Number: 227-798-5

GRADE & PURITY 10mM in DMSO

Synonyms

2-Heptanamine, 6-methyl-, hydrochloride | 6-Methyl-2-heptylamine hydrochloride | 1-Hexanamine, 1,5-dimethyl-, hydrochloride | 2-Amino-6-methylheptane hydrochloride | AKOS032954234 | Q27236340 | EN300-7645295 | SY020720 | F20422 | s6477 | SY264522 | 2-Isoo

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

1,5-Dimethylhexylamine Hydrochloride is an aliphatic secondary amine which shows leucine aminotransferase inhibition. 1,5-Dimethylhexylamine Hydrochloride is used in the preparation of glycosyl β-amino acids with antitubercular activity.

Specifications

Synonyms

2-Heptanamine, 6-methyl-, hydrochloride | 6-Methyl-2-heptylamine hydrochloride | 1-Hexanamine, 1, 5-dimethyl-, hydrochloride | 2-Amino-6-methylheptane hydrochloride | AKOS032954234 | Q27236340 | EN300-7645295 | SY020720 | F20422 | s6477 | SY264522 | 2-Isoo

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

ACTIVATOR

Names and Identifiers

• Canonical Smiles: CC(C)CCCC(C)N.Cl
• IUPAC Name: 6-methylheptan-2-amine;hydrochloride
• InChIKey: JWQWFYMPBWLERY-UHFFFAOYSA-N
• INCHI: 1S/C8H19N.ClH/c1-7(2)5-4-6-8(3)9;/h7-8H,4-6,9H2,1-3H3;1H
• Isomeric SMILES: CC(C)CCCC(C)N.Cl
• Molecular Weight: 165.70
• Reaxy-Rn: 9342377
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9342377&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Primary aliphatic amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
• 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

• Sensitivity: Moisture sensitive
• Molecular Weight: 165.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 165.128 Da
• Monoisotopic Mass: 165.128 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 59.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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