Heptaldehyde - ≥97% , CAS No.111-71-7

CAS: 111-71-7 Cat. No.: H105934 Formula: C₇H₁₄O Peso molecolare: 114.19 Beilstein Registry Number: 1560236 Numero EC: 203-898-4

QUALITÀ & PUREZZA ≥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

Specifiche

Sinonimi

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 Mostra altro

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged

Spedito in

FedEx DG Service

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504751595

Pubchem Sid Url

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

Sorrisi canonici

CCCCCCC=O

IUPAC Name

heptanal

InChIKey

FXHGMKSSBGDXIY-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

CCCCCCC=O

WGK Germania

3

RTECS

MI6900000

Numero UN

3056

Gruppo di imballaggio

III

Peso molecolare

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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Medium-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

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Lymphoblastoid cell (5959 Activities)

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Obiettivi associati (non umani)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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Myzus persicae (1112 Activities)

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Bursaphelenchus xylophilus (372 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water 1.3 g/L
• Sensibilità: Light sensitive，Air sensitive,Heat sensitive
• Indice di rifrazione: 1.4151
• Punto di infiammabilità (°C): 35℃
• Punto di ebollizione (°C): 153°C
• Punto di fusione (°C): -42°C
• Peso molecolare: 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