1-METHYLDECYLAMINE , CAS No.13205-56-6

CAS: 13205-56-6 Cat. No.: M166950 Summenformel: C₁₁H₂₅N Molekulargewicht: 171.329 EG-Nummer: 236-173-6

Synonyms

2-Aminoundecane|2-Undecanamine|13205-56-6|undecan-2-amine|1-Methyldecylamine|2-Undecylamine|(1-methyl-decyl)-amine|EINECS 236-173-6|SCHEMBL940521|DTXSID40884583|AKOS009391762|FT-0636835|E85889

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

2-Aminoundecane | 2-Undecanamine | 13205-56-6 | undecan-2-amine | 1-Methyldecylamine | 2-Undecylamine | (1-methyl-decyl)-amine | EINECS 236-173-6 | SCHEMBL940521 | DTXSID40884583 | AKOS009391762 | FT-0636835 | E85889

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

Kanonisches Lächeln

CCCCCCCCCC(C)N

IUPAC Name

undecan-2-amine

InChIKey

NHBKWZCTSMCKDS-UHFFFAOYSA-N

INCHI

1S/C11H25N/c1-3-4-5-6-7-8-9-10-11(2)12/h11H,3-10,12H2,1-2H3

Isomere SMILES

CCCCCCCCCC(C)N

Molekulargewicht

171.329

Reaxy-Rn

1736416

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736416&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: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 171.320 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 171.199 Da
• Monoisotopic Mass: 171.199 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 81.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1