Decylamine - ≥98% , CAS No.2016-57-1

CAS: 2016-57-1 Cat. No.: D107311 Molecular Weight: 157.3 Beilstein Registry Number: 1735220 EC Number: 217-957-7

GRADE & PURITY ≥98%

Synonyms

NDA | AKOS009159300 | Aminodecane | A814298 | C93407 | Decylamine, 95% | FT-0607343 | DTXCID902171 | Decyl amine | STR11665 | 1-Decylamine | 4-04-00-00783 (Beilstein Handbook Reference) | Decylamine, >=99.0% (GC) | Tox21_302938 | 1-Decaneamine | decan-1-a

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Specifications

Synonyms

NDA | AKOS009159300 | Aminodecane | A814298 | C93407 | Decylamine, 95% | FT-0607343 | DTXCID902171 | Decyl amine | STR11665 | 1-Decylamine | 4-04-00-00783 (Beilstein Handbook Reference) | Decylamine, >=99.0% (GC) | Tox21_302938 | 1-Decaneamine | decan-1-a

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCN
• IUPAC Name: decan-1-amine
• InChIKey: MHZGKXUYDGKKIU-UHFFFAOYSA-N
• INCHI: 1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3
• Isomeric SMILES: CCCCCCCCCCN
• WGK Germany: 3
• RTECS: HD6475000
• UN Number: 2922
• Molecular Weight: 157.3
• Beilstein: 1735220
• Reaxy-Rn: 1735220
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735220&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: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: carbon dioxide sensitive;air sensitive
• Freezing Point(°C): 13 °C
• Refractive Index: 1.435-1.437
• Flash Point(°F): 192.2 °F
• Flash Point(°C): 85 °C
• Boil Point(°C): 216-218°C
• Melt Point(°C): 12-15°C
• Molecular Weight: 157.300 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 157.183 Da
• Monoisotopic Mass: 157.183 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 61.900
• 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

References

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