5-Aminomethyl-2-fluoroanisole - ≥98% , CAS No.508177-67-1

CAS: 508177-67-1 Cat. No.: A184856 Peso molecular: 155.2

GRADE & PURITY ≥98%

Synonyms

MFCD04116362 | CBODMDXBVNUXJY-UHFFFAOYSA-N | FS-1332 | 4-Fluoro-3-methoxybenzylamine | 4-Fluoro-3-methoxy-benzylamine | 4-fluoro-3-methoxybenzyl-amine | SCHEMBL943423 | 3-Methoxy-4-fluorobenzylamine | 4-Fluoro-3-methoxybenzenemethanamine | SY026389 | 1-(4

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

MFCD04116362 | CBODMDXBVNUXJY-UHFFFAOYSA-N | FS-1332 | 4-Fluoro-3-methoxybenzylamine | 4-Fluoro-3-methoxy-benzylamine | 4-fluoro-3-methoxybenzyl-amine | SCHEMBL943423 | 3-Methoxy-4-fluorobenzylamine | 4-Fluoro-3-methoxybenzenemethanamine | SY026389 | 1-(4

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, 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

≥98%

Nombres e identificadores

• Pubchem Sid: 488200977
• Sonrisas canónicas: COC1=C(C=CC(=C1)CN)F
• IUPAC Name: (4-fluoro-3-methoxyphenyl)methanamine
• InChIKey: CBODMDXBVNUXJY-UHFFFAOYSA-N
• INCHI: 1S/C8H10FNO/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4H,5,10H2,1H3
• Isómeros SMILES: COC1=C(C=CC(=C1)CN)F
• Peso molecular: 155.2
• Reaxy-Rn: 14430578
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14430578&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Fluorobenzenes Aralkylamines Alkyl aryl ethers Aryl fluorides Organofluorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anisole - Phenoxy compound - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl fluoride - Ether - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Propiedades químicas y físicas

• Peso molecular: 155.170 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 155.075 Da
• Monoisotopic Mass: 155.075 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 121.000
• 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