| Common Name |
p-Anisidine
| Description |
p-Anisidine is a polyphenol compound found in foods of plant origin (PMID: 20428313 ).p-Anisidine belongs to the family of Anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29300 (p-Anisidine)
| Synonyms |
| Value |
Source |
1-amino-4-MethoxybenzeneKegg
1-Methoxy-4-amino-benzen (P-anisidin)HMDB
1-Methoxy-4-amino-benzene / P-anisidineHMDB
4-AminoanisoleHMDB
4-AnisidineHMDB
4-Methoxy-1-aminobenzeneHMDB
4-METHOXY-anilineHMDB
4-Methoxy-benzenamineHMDB
4-Methoxy-phenylamineHMDB
4-MethoxyanilineHMDB
4-MethoxybenzenamineHMDB
4-MethoxybenzeneamineHMDB
beta -AnisidineHMDB
P-amino-AnisoleHMDB
P-AminoanisoleHMDB
P-AnisylamineHMDB
P-DianisidineHMDB
P-Methoxy-anilineHMDB
P-MethoxyanilineHMDB
P-MethoxyphenylamineHMDB
Para-anisidineHMDB
| Chemical Formlia |
C7H9NO
| Average Molecliar Weight |
123.1525
| Monoisotopic Molecliar Weight |
123.068413915
| IUPAC Name |
4-methoxyaniline
| Traditional Name |
P-anisidine
| CAS Registry Number |
Not Available
| SMILES |
COC1=CC=C(N)C=C1
| InChI Identifier |
InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
| InChI Key |
BHAAPTBBJKJZER-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy group.
| Kingdom |
Organic compounds
| Super Class |
Benzenoids
| Class |
Benzene and substituted derivatives
| Sub Class |
Anilines
| Direct Parent |
Methoxyanilines
| Alternative Parents |
Methoxybenzenes
Anisoles
Alkyl aryl ethers
Primary aromatic amines
Hydrocarbon derivatives
| Substituents |
Methoxyaniline
Methoxybenzene
Phenol ether
Anisole
Alkyl aryl ether
Primary aromatic amine
Ether
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Amine
Aromatic homomonocyclic compound
| Molecliar Framework |
Aromatic homomonocyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point57.2 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility21 mg/mL at 20 °CNot Available
LogP0.95Not Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility23.0 mg/mLALOGPS
logP1.01ALOGPS
logP0.99ChemAxon
logS-0.73ALOGPS
pKa (Strongest Basic)5.11ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area35.25 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity37.22 m3·mol-1ChemAxon
Polarizability13.26 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
651
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000339
| KNApSAcK ID |
Not Available
| Chemspider ID |
13869414
| KEGG Compound ID |
C19326
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
p-Anisidine
| NuGOwiki Link |
HMDB29300
| Metagene Link |
HMDB29300
| METLIN ID |
Not Available
| PubChem Compound |
7732
| PDB ID |
Not Available
| ChEBI ID |
163384
Product: Shikonin
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Download (PDF) |
| General References |
- Neveu V, Perez-Jimenez J, Vos F, Crespy V, du Chaffaut L, Mennen L, Knox C, Eisner R, Cruz J, Wishart D, Scalbert A: Phenol-Explorer: an online comprehensive database on polyphenol contents in foods. Database (Oxford). 2010;2010:bap024. doi: 10.1093/database/bap024. Epub 2010 Jan 8. [PubMed:20428313 ]
|
PMID: 8107329
