n-Octylamine - ≥99% , CAS No.111-86-4

CAS: 111-86-4 Cat. No.: O110545 Formule: C₈H₁₉N Poids moléculaire: 129.24 Beilstein Registry Number: 4196 Numéro CE: 203-916-0

GRADE & PURITY ≥99%

Synonyms

n-C8H17NH2 | 1-Octanamine | 1-octyl amine | N-Octyl amine | MFCD00008247 | Octylamine, analytical standard | n-Octylamine, mono- | EINECS 268-218-0 | Octylamine | octyl-amine | Q-201486 | 1173022-14-4 | F2190-0498 | MLS002222344 | WLN: Z8 | Monoctylamine

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Application

Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Vue d’ensemble

Application:

Octylamine is mainly used to synthesize amphiphilic copolymers for polymer coating of quantum dots (QDs) to make them water-soluble. Other applications: Synthesis of 2-cyano-N-octylacetamide by reacting with ethyl cyanoacetate. To induce uniformity for synthesizing uniform ultrathin metal sulfide nanostructures.

Specifications

Synonymes

n-C8H17NH2 | 1-Octanamine | 1-octyl amine | N-Octyl amine | MFCD00008247 | Octylamine, analytical standard | n-Octylamine, mono- | EINECS 268-218-0 | Octylamine | octyl-amine | Q-201486 | 1173022-14-4 | F2190-0498 | MLS002222344 | WLN: Z8 | Monoctylamine

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

• Pubchem Sid: 508813850
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508813850
• Sourires canoniques: CCCCCCCCN
• IUPAC Name: octan-1-amine
• InChIKey: IOQPZZOEVPZRBK-UHFFFAOYSA-N
• INCHI: 1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
• Isomères SMILES: CCCCCCCCN
• WGK Allemagne: 2
• RTECS: RG8050000
• Numéro ONU: 2735
• Groupe d'emballage: I
• Poids moléculaire: 129.24
• Beilstein: 4196
• Reaxy-Rn: 1679227
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1679227&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - 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: primary aliphatic amine

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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Miscible with ethanol, benzene and ethyl acetate. Slightly miscible with water.
• Sensibilité: Light sensitive；Air Sensitive；sensitive to carbon dioxide
• Indice de réfraction: 1.429
• Point d'éclair (°F): 140 °F
• Point d'éclair (°C): 60 °C
• Point d'ébullition (°C): 175-177°C
• Point de fusion (°C): -5--1°C
• Poids moléculaire: 129.240 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 129.152 Da
• Monoisotopic Mass: 129.152 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 43.800
• 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