3-Amino-N-methylbenzylamine - ≥97% , CAS No.18759-96-1

CAS: 18759-96-1 Cat. No.: A151692 Peso molecular: 136.2 Número EC: 414-570-7

GRADE & PURITY ≥97%

Synonyms

SCHEMBL1914403 | 3-Aminobenzylmethylamine | DTXSID40469894 | STL146683 | Benzenemethanamine, 3-amino-N-methyl- | EC 414-570-7 | 3-(methylaminomethyl)aniline | FT-0655684 | MFCD00211072 | A25072 | D84175 | 3-Amino-N-methylbenzylamine | AC-20549 | 3-[(methy

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL1914403 | 3-Aminobenzylmethylamine | DTXSID40469894 | STL146683 | Benzenemethanamine, 3-amino-N-methyl- | EC 414-570-7 | 3-(methylaminomethyl)aniline | FT-0655684 | MFCD00211072 | A25072 | D84175 | 3-Amino-N-methylbenzylamine | AC-20549 | 3-[(methy

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488197636
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197636
• Sonrisas canónicas: CNCC1=CC(=CC=C1)N
• IUPAC Name: 3-(methylaminomethyl)aniline
• InChIKey: HBLPYXIZPMDWIO-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6,9H2,1H3
• Isómeros SMILES: CNCC1=CC(=CC=C1)N
• Peso molecular: 136.2
• Reaxy-Rn: 9550500
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9550500&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: Benzylamines Aniline and substituted anilines Aralkylamines Dialkylamines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Phenylmethylamine - Benzylamine - Aralkylamine - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - 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

• Sensibilidad: Air and moisture sensitive
• Punto de fusión (°C): 34℃
• Peso molecular: 136.190 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 136.1 Da
• Monoisotopic Mass: 136.1 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 93.300
• 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