4-Nitrophenyl stearate - ≥90% , CAS No.14617-86-8

CAS: 14617-86-8 Cat. No.: N167350 Summenformel: C₂₄H₃₉NO₄ Molekulargewicht: 405.57 EG-Nummer: 625-747-5

GRADE & PURITY ≥90%

Synonyms

HY-W099563 | SCHEMBL135634 | P-NITROPHENYL STEARATE | MFCD00047733 | D82051 | DS-6252 | AKOS015890833 | A927875 | C24H39NO4 | DTXSID90402716 | 4-METHOXYPHENYLPHOSPHONICACID | Octadecanoic acid 4-nitrophenyl ester | J-008199 | FT-0637114 | Octadecanoic aci

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

lipase substrate

Specifications

Synonyme

HY-W099563 | SCHEMBL135634 | P-NITROPHENYL STEARATE | MFCD00047733 | D82051 | DS-6252 | AKOS015890833 | A927875 | C24H39NO4 | DTXSID90402716 | 4-METHOXYPHENYLPHOSPHONICACID | Octadecanoic acid 4-nitrophenyl ester | J-008199 | FT-0637114 | Octadecanoic aci

Spezifikationen & Reinheit

≥90%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥90%

Namen und Kennungen

Pubchem Sid

504762998

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762998

Kanonisches Lächeln

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

IUPAC Name

(4-nitrophenyl) octadecanoate

InChIKey

HAIZAZONHOVLEK-UHFFFAOYSA-N

INCHI

1S/C24H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)29-23-20-18-22(19-21-23)25(27)28/h18-21H,2-17H2,1H3

Isomere SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Molekulargewicht

405.57

Reaxy-Rn

2013000

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2013000&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Fatty acid esters Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester 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

• Löslichkeit: chloroform: 100 mg/mL, clear to slightly hazy, colorless to light yellow
• Schmelzpunkt (°C): 68℃
• Molekulargewicht: 405.600 g/mol
• XLogP3: 9.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 405.288 Da
• Monoisotopic Mass: 405.288 Da
• Topological Polar Surface Area: 72.100 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 414.000
• 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