n-Octylamine - analytical standard, ≥99.5%(GC) , CAS No.111-86-4

CAS: 111-86-4 Cat. No.: O110546 Summenformel: C₈H₁₉N Molekulargewicht: 129.24 Beilstein Registry Number: 4196 EG-Nummer: 203-916-0

GRADE & PURITY Analytical standard, ≥99.5%(GC)

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

Shipped In

Normal

Specifications

Synonyme

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

Spezifikationen & Reinheit

analytical standard, ≥99.5%(GC)

Storage

Protected from light,Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Reinheit

≥99.5%(GC)

Namen und Kennungen

Pubchem Sid

504751601

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751601

Kanonisches Lächeln

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

Isomere SMILES

CCCCCCCCN

WGK Deutschland

2

RTECS

RG8050000

UN-Nummer

2735

Verpackungsgruppe

I

Molekulargewicht

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
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Primary amines
          • Ebene6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible in alcohols and ethers.
• Empfindlichkeit: Light sensitive.
• Brechungsindex: 1.429
• Flammpunkt (°F): 140 °F
• Flammpunkt (°C): 60 °C
• Siedepunkt (°C): 175-177°C
• Schmelzpunkt (°C): -5--1°C
• Molekulargewicht: 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