1-(2-Bromophenyl)-N-methylmethanamine - ≥95% , CAS No.698-19-1

CAS: 698-19-1 Cat. No.: B194652 Formula: C₈H₁₀BrN Peso molecolare: 200.08 Numero EC: 626-705-9

GRADE & PURITY ≥95%

Synonyms

HMS1766O15 | (2-Bromobenzyl)methylamine | (2-Bromo-benzyl)-methyl-amine | 2-BroMo-N-MethylbenzylaMine;N-Methyl-2-bromobenzylamine | 2-Bromo-N-methylbenzylamine | AC-7266 | N-Methyl-O-bromobenzylamine | MFCD05262953 | TUADRPBKJHMHDH-UHFFFAOYSA-N | N-Methyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

HMS1766O15 | (2-Bromobenzyl)methylamine | (2-Bromo-benzyl)-methyl-amine | 2-BroMo-N-MethylbenzylaMine;N-Methyl-2-bromobenzylamine | 2-Bromo-N-methylbenzylamine | AC-7266 | N-Methyl-O-bromobenzylamine | MFCD05262953 | TUADRPBKJHMHDH-UHFFFAOYSA-N | N-Methyl

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 504759119
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759119
• Sorrisi canonici: CNCC1=CC=CC=C1Br
• IUPAC Name: 1-(2-bromophenyl)-N-methylmethanamine
• InChIKey: TUADRPBKJHMHDH-UHFFFAOYSA-N
• INCHI: 1S/C8H10BrN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
• Isomeri SMILES: CNCC1=CC=CC=C1Br
• WGK Germania: 2
• Peso molecolare: 200.08
• Reaxy-Rn: 2716578
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2716578&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Bromobenzenes Aralkylamines Aryl bromides Dialkylamines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Secondary amine - Secondary aliphatic amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.5670 (lit.)
• Punto di infiammabilità (°F): 219.2 °F
• Punto di infiammabilità (°C): 104 °C
• Peso molecolare: 200.080 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199 Da
• Monoisotopic Mass: 199 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