n-Octylamine - ≥99% , CAS No.111-86-4

CAS: 111-86-4 Cat. No.: O110545 Formula: C₈H₁₉N Molecular Weight: 129.24 Beilstein Registry Number: 4196 EC Number: 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

Overview

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

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

Specifications & Purity

≥99%

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

508813850

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813850

Canonical Smiles

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

Isomeric SMILES

CCCCCCCCN

WGK Germany

2

RTECS

RG8050000

UN Number

2735

Packing Group

I

Molecular Weight

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
    • 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 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with ethanol, benzene and ethyl acetate. Slightly miscible with water.
• Sensitivity: Light sensitive；Air Sensitive；sensitive to carbon dioxide
• Refractive Index: 1.429
• Flash Point(°F): 140 °F
• Flash Point(°C): 60 °C
• Boil Point(°C): 175-177°C
• Melt Point(°C): -5--1°C
• Molecular Weight: 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