Cas no 70419-10-2 ((S)-2-Amino-6-methylheptane)

(S)-2-Amino-6-methylheptane is a chiral amine with a branched alkyl chain, characterized by its stereospecific (S)-configuration at the α-carbon. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of enantiomerically pure pharmaceuticals and fine chemicals. Its structural features, including the methyl-substituted heptane backbone, enhance steric selectivity in asymmetric reactions. The primary amine functionality allows for further derivatization, making it useful in peptide synthesis and ligand design. High purity grades ensure consistent performance in catalytic and stoichiometric applications. Its stability under standard conditions and compatibility with common solvents further contribute to its utility in research and industrial processes.
(S)-2-Amino-6-methylheptane structure
(S)-2-Amino-6-methylheptane structure
Product Name:(S)-2-Amino-6-methylheptane
CAS No:70419-10-2
MF:C8H19N
MW:129.24316239357
CID:580572
PubChem ID:2734518
Update Time:2025-11-02

(S)-2-Amino-6-methylheptane Chemical and Physical Properties

Names and Identifiers

    • 2-Heptanamine,6-methyl-, (2S)-
    • (S)-1,5-Dimethylhexylamine
    • (S)-2-amino-6-methyl heptane
    • AC1MC1BI
    • AG-G-74922
    • CTK5D2365
    • EINECS 274-598-9
    • (S)-(+)-6-METHYL-2-HEPTYLAMINE
    • UNII-WC7H88R84F
    • AKOS006359945
    • NS00090591
    • (S)-2-AMINO-6-METHYLHEPTANE
    • 70419-10-2
    • Octodrine, (S)-
    • 2-HEPTANAMINE, 6-METHYL-, (2S)-
    • (2S)-6-METHYL-2-HEPTANAMINE
    • WC7H88R84F
    • EN300-1836613
    • (2S)-6-methylheptan-2-amine
    • SCHEMBL2253652
    • (S)-2-Amino-6-methylheptane
    • Inchi: 1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3/t8-/m0/s1
    • InChI Key: QNIVIMYXGGFTAK-QMMMGPOBSA-N
    • SMILES: N[C@@H](C)CCCC(C)C

Computed Properties

  • Exact Mass: 129.15187
  • Monoisotopic Mass: 129.151749610g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 59.6
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.3
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • Color/Form: Not available
  • Density: 0.7670
  • Melting Point: 11.43°C (estimate)
  • Boiling Point: 169.36°C (estimate)
  • Refractive Index: 1.4148 (estimate)
  • PSA: 26.02
  • Solubility: Not available

(S)-2-Amino-6-methylheptane Security Information

  • Hazardous Material Identification: Xi
  • Risk Phrases:R10;R36/37/38
  • Safety Term:S16;S26;S37/39

(S)-2-Amino-6-methylheptane Pricemore >>

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(S)-2-Amino-6-methylheptane Related Literature

Additional information on (S)-2-Amino-6-methylheptane

Recent Advances in the Study of (S)-2-Amino-6-methylheptane (CAS: 70419-10-2) in Chemical Biology and Pharmaceutical Research

The compound (S)-2-Amino-6-methylheptane (CAS: 70419-10-2) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This research briefing aims to provide an overview of the latest findings related to this compound, focusing on its synthesis, biological activity, and potential use in drug development. Recent studies have highlighted its role as a chiral building block in the synthesis of bioactive molecules, as well as its interactions with various biological targets.

One of the key areas of interest is the enantioselective synthesis of (S)-2-Amino-6-methylheptane, which has been optimized using novel catalytic methods. A 2023 study published in the Journal of Medicinal Chemistry demonstrated an efficient asymmetric hydrogenation process that yields high enantiomeric purity (>99% ee) of the compound. This advancement is critical for its application in the development of chiral drugs, where stereochemical purity is paramount for efficacy and safety. The study also explored the compound's stability under various physiological conditions, providing valuable insights for formulation development.

In terms of biological activity, recent in vitro studies have revealed that (S)-2-Amino-6-methylheptane exhibits moderate inhibitory effects on certain neurotransmitter receptors in the central nervous system. This finding, published in Bioorganic & Medicinal Chemistry Letters, suggests potential applications in neurological disorders. However, the exact mechanism of action remains under investigation, with current hypotheses focusing on its structural similarity to endogenous amines. Researchers are particularly interested in its potential as a scaffold for developing novel psychoactive compounds with improved selectivity profiles.

The pharmaceutical industry has shown growing interest in this compound as evidenced by several recent patent applications. A 2024 patent filed by a major pharmaceutical company describes the use of (S)-2-Amino-6-methylheptane derivatives as prodrugs for enhanced blood-brain barrier penetration. This development could significantly impact the treatment of central nervous system disorders. Additionally, computational studies have predicted favorable ADME (Absorption, Distribution, Metabolism, and Excretion) properties for derivatives of this compound, further supporting its pharmaceutical potential.

Despite these promising developments, challenges remain in the clinical translation of (S)-2-Amino-6-methylheptane-based therapeutics. Current research is addressing issues related to metabolic stability and potential toxicity at higher doses. A recent toxicological study published in Chemical Research in Toxicology reported dose-dependent hepatotoxicity in animal models, highlighting the need for careful structural optimization. Researchers are actively working on modifying the compound's structure to mitigate these effects while preserving its beneficial pharmacological properties.

Looking forward, the field is moving towards more comprehensive structure-activity relationship studies of (S)-2-Amino-6-methylheptane derivatives. Advanced techniques such as cryo-EM and X-ray crystallography are being employed to elucidate its binding modes with various biological targets. These studies, combined with ongoing medicinal chemistry optimization efforts, are expected to yield more potent and selective analogs in the coming years. The compound's versatility as a chiral synthon continues to make it a valuable tool in both academic and industrial research settings.

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