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

CAS: 13205-56-6 Cat. No.: M166950 Formula: C₁₁H₂₅N Peso molecolare: 171.329 Numero EC: 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

Specifiche

Sinonimi

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

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Sorrisi canonici

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

Isomeri SMILES

CCCCCCCCCC(C)N

Peso molecolare

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
    • 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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