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

CAS: 508177-67-1 Cat. No.: A184856 Molecular Weight: 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

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200977
• Canonical Smiles: 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
• Isomeric SMILES: COC1=C(C=CC(=C1)CN)F
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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