1-Hexadecylamine - ≥90% , CAS No.143-27-1

CAS: 143-27-1 Cat. No.: H105442 Fórmula: C₁₆H₃₅N Peso molecular: 241.46 Beilstein Registry Number: 1634065 Número CE: 205-596-8

GRADE & PURITY ≥90%

Synonyms

HAD | Armeen 16D | NSC 8489 | Amine 16D | Tox21_112293 | D78357 | CHEBI:165594 | SCHEMBL19528 | Alamine 6 | DTXCID805390 | PALMITAMINE [INCI] | 1191245-82-5 | 1-Hexadecanamine | Tox21_112293_1 | 1-Aminohexadecane | SR-01000944746-1 | HEXADECANE,1-AMINO |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

HAD | Armeen 16D | NSC 8489 | Amine 16D | Tox21_112293 | D78357 | CHEBI:165594 | SCHEMBL19528 | Alamine 6 | DTXCID805390 | PALMITAMINE [INCI] | 1191245-82-5 | 1-Hexadecanamine | Tox21_112293_1 | 1-Aminohexadecane | SR-01000944746-1 | HEXADECANE,1-AMINO |

Especificações e pureza

≥90%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥90%

Nomes e identificadores

Pubchem Sid

508812585

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812585

Sorrisos canónicos

CCCCCCCCCCCCCCCCN

IUPAC Name

hexadecan-1-amine

InChIKey

FJLUATLTXUNBOT-UHFFFAOYSA-N

INCHI

1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3

SMILES isoméricas

CCCCCCCCCCCCCCCCN

WGK Alemanha

2

RTECS

ML9100000

Número UN

3259

Grupo de embalagem

I

Peso molecular

241.46

Beilstein

1634065

Reaxy-Rn

1634065

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1634065&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
• Descrição: 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

Alvos associados (não humanos)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Naaa N-acylethanolamine-hydrolyzing acid amidase (372 Activities)

Discover Target: Naaa

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water.Soluble in chloroform, alcohol
• Ponto de congelamento (°C): 44 °C
• Índice de refração: 1.45
• Ponto de inflamação (°F): 284 °F
• Ponto de inflamação (°C): 140℃
• Ponto de ebulição (°C): 330℃
• Ponto de fusão (°C): 46.77°C
• Peso molecular: 241.460 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 241.277 Da
• Monoisotopic Mass: 241.277 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 123.000
• 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