3-Fluoro-N-methylbenzylamine - ≥97%(GC) , CAS No.90389-84-7

CAS: 90389-84-7 Cat. No.: F156708 Molecular Weight: 139.17 EC Number: 627-017-1

GRADE & PURITY ≥97%(GC)

Synonyms

FD7354 | Benzenemethanamine, 3-fluoro-N-methyl- | DTXSID50238114 | 3-Fluoro-N-methylbenzylamine, 97% | 3-Fluoro-N-methylbenzylamine | AKOS000264046 | GS-4164 | (3-Fluorobenzyl)methylamine | SY002641 | F0805 | EN300-07487 | F2169-1245 | (3-FLUOROPHENYL)-N-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

FD7354 | Benzenemethanamine, 3-fluoro-N-methyl- | DTXSID50238114 | 3-Fluoro-N-methylbenzylamine, 97% | 3-Fluoro-N-methylbenzylamine | AKOS000264046 | GS-4164 | (3-Fluorobenzyl)methylamine | SY002641 | F0805 | EN300-07487 | F2169-1245 | (3-FLUOROPHENYL)-N-

Specifications & Purity

≥97%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 504758901
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758901
• Canonical Smiles: CNCC1=CC(=CC=C1)F
• IUPAC Name: 1-(3-fluorophenyl)-N-methylmethanamine
• InChIKey: ZXWCKKSSCIFVBT-UHFFFAOYSA-N
• INCHI: 1S/C8H10FN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
• Isomeric SMILES: CNCC1=CC(=CC=C1)F
• WGK Germany: 2
• Molecular Weight: 139.17
• Reaxy-Rn: 5730013
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5730013&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: Benzylamines Fluorobenzenes Aralkylamines Aryl fluorides Dialkylamines Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Secondary aliphatic amine - Secondary amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - 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

• Sensitivity: air sensitive
• Refractive Index: 1.499
• Flash Point(°F): 150.8 °F
• Flash Point(°C): 66°C
• Boil Point(°C): 183-184 °C
• Molecular Weight: 139.170 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 139.08 Da
• Monoisotopic Mass: 139.08 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.300
• 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