Heptaldehyde - ≥97% , CAS No.111-71-7

CAS: 111-71-7 Cat. No.: H105934 Fórmula: C₇H₁₄O Peso molecular: 114.19 Beilstein Registry Number: 1560236 Número EC: 203-898-4

CALIDAD & PUREZA ≥97%

Synonyms

N-HEPTANAL|Oenanthol|1-Heptaldehyde|Heptanal|HEPTANAL [MI]|n-Heptylaldehyde|Enanthal|Enanthole|Heptanal (natural)|n-Heptaldehyde [UN3056] [Flammable liquid]|Heptylaldehyde|Heptanal-d14|Oenanthal|Heptanaldehyde|Oenanthic aldehyde|N-HEPTANAL [HSDB]|n-Heptaldehyde|Oenanthole|Enanthic aldehyde|HEPTANAL [FCC]|HEPTANAL [FHFI]|heptan-1-al|Aldehyde C-7|Enanthaldehyde|n-Heptaldehyde [UN3056] [Flammable liquid]|FEMA NUMBER 2540|Oenanthaldehyde|1-Heptanal|Heptaldehyde|HEPTANAL (ALDEHYDE C-7)

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Especificaciones

Sinónimos

N-HEPTANAL | Oenanthol | 1-Heptaldehyde | Heptanal | HEPTANAL [MI] | n-Heptylaldehyde | Enanthal | Enanthole | Heptanal (natural) | n-Heptaldehyde [UN3056] [Flammable liquid] | Heptylaldehyde | Heptanal-d14 | Oenanthal | Heptanaldehyde | Oenanthic aldehyde | N-HEPTANAL [HSDB] | n-Heptaldehyde | Oenanthole | Enanthic aldehyde | HEPTANAL [F Show more

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

FedEx DG Service

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504751595

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751595

Sonrisas canónicas

CCCCCCC=O

IUPAC Name

heptanal

InChIKey

FXHGMKSSBGDXIY-UHFFFAOYSA-N

INCHI

1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3

Isómeros SMILES

CCCCCCC=O

WGK Alemania

3

RTECS

MI6900000

Número ONU

3056

Grupo de embalaje

III

Peso molecular

114.19

Beilstein

1560236

Reaxy-Rn

1560236

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1560236&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Medium-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Medium-chain aldehydes
• Alternative Parents: Alpha-hydrogen aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain aldehyde - Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
• External Descriptors: an n-alkanal

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

Objetivos asociados (humanos)

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

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

Objetivos asociados (no humanos)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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

Myzus persicae (1112 Activities)

Explore this target

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

Bursaphelenchus xylophilus (372 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water 1.3 g/L
• Sensibilidad: Light sensitive，Air sensitive,Heat sensitive
• Índice de refracción: 1.4151
• Punto de inflamación (°C): 35℃
• Punto de ebullición (°C): 153°C
• Punto de fusión (°C): -42°C
• Peso molecular: 114.190 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 114.104 Da
• Monoisotopic Mass: 114.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 50.300
• 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