4-(Aminomethyl)-2-methoxyphenol - ≥97% , CAS No.1196-92-5

CAS: 1196-92-5 Cat. No.: A586553 Peso molecular: 153.18 Número EC: ‘422-450-0

GRADE & PURITY ≥97%

Synonyms

Phenol, 4-(aminomethyl)-2-methoxy- | (3-Methoxy-4-hydroxyphenyl)methylamine | SY236723 | 3-Methoxy-4-hydroxybenzylamine | a-amino-2-methoxy-p-Cresol | HY-W097899 | Spectrum_000300 | BS-19988 | CREOSOL, .ALPHA.-AMINO- | 1WEZ91E3Z0 | 4-(aminomethyl)-2-(meth

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Vanillylamine is a derivative of vanillin, which is synthesized by aminotransferase reaction in the phenylpropane
Application：

4-Hydroxy-3-methoxybenzylamine is used in preparation of capsaicin

Specifications

Sinónimos

Phenol, 4-(aminomethyl)-2-methoxy- | (3-Methoxy-4-hydroxyphenyl)methylamine | SY236723 | 3-Methoxy-4-hydroxybenzylamine | a-amino-2-methoxy-p-Cresol | HY-W097899 | Spectrum_000300 | BS-19988 | CREOSOL, .ALPHA.-AMINO- | 1WEZ91E3Z0 | 4-(aminomethyl)-2-(meth

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=CC(=C1)CN)O
• IUPAC Name: 4-(aminomethyl)-2-methoxyphenol
• InChIKey: WRPWWVNUCXQDQV-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5,9H2,1H3
• Isómeros SMILES: COC1=C(C=CC(=C1)CN)O
• Peso molecular: 153.18
• Reaxy-Rn: 1618874
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1618874&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenylmethylamines Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Phenoxy compound - Aralkylamine - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Ether - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: aralkylamino compound

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 (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

Pseudomonas aeruginosa (123386 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: Solubility：DMSO (Slightly), Methanol (Slightly)
• Punto de fusión (°C): 120-140° C
• Peso molecular: 153.180 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 153.079 Da
• Monoisotopic Mass: 153.079 Da
• Topological Polar Surface Area: 55.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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

Referencias

1. Qi Li, Ruiying Gao, Yucheng Li, Bo Fan, Cuiluan Ma, Yu-Cai He.  (2023)  Improved biotransformation of lignin-valorized vanillin into vanillylamine in a sustainable bioreaction medium.  BIORESOURCE TECHNOLOGY,      [PMID:37295479] [10.1016/j.biortech.2023.129292]

2. Yizhen Zhang, Yu-Cai He, Cuiluan Ma.  (2024)  Efficient synthesis of vanillylamine through bioamination of lignin-derived vanillin by recombinant E. coli containing ω-transaminase from Caulobacter sp. D5 in dimethyl sulfoxide-water.  BIORESOURCE TECHNOLOGY,      [PMID:39321936] [10.1016/j.biortech.2024.131526]