Clorhidrato de N-metil-4-(dimetilamino)bencilamina - ≥97% , CAS No.1158441-78-1

CAS: 1158441-78-1 Cat. No.: N294090 Peso molecular: 200.708

GRADE & PURITY ≥97%

Synonyms

N-Methyl-4-(dimethylamino)benzylamine HCl | 1158441-78-1 | AS-32049 | N-Methyl-4-(dimethylamino)benzylamine Hydrochloride | AKOS022174846 | N,N-Dimethyl-4-((methylamino)methyl)aniline hydrochloride | N,N-DIMETHYL-4-[(METHYLAMINO)METHYL]ANILINE HYDROCHLORI

Storage

Temperatura ambiente, cargado con argón

Shipped In

Normal

Specifications

Sinónimos

N-Methyl-4-(dimethylamino)benzylamine HCl | 1158441-78-1 | AS-32049 | N-Methyl-4-(dimethylamino)benzylamine Hydrochloride | AKOS022174846 | N, N-Dimethyl-4-((methylamino)methyl)aniline hydrochloride | N, N-DIMETHYL-4-[(METHYLAMINO)METHYL]ANILINE HYDROCHLORI

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente, cargado con argón

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CNCC1=CC=C(C=C1)N(C)C.Cl
• IUPAC Name: N,N-dimethyl-4-(methylaminomethyl)aniline;hydrochloride
• InChIKey: XVVDGGSEVSEMCE-UHFFFAOYSA-N
• INCHI: 1S/C10H16N2.ClH/c1-11-8-9-4-6-10(7-5-9)12(2)3;/h4-7,11H,8H2,1-3H3;1H
• Isómeros SMILES: CNCC1=CC=C(C=C1)N(C)C.Cl
• Peso molecular: 200.708
• Reaxy-Rn: 53780013
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=53780013&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: Dialkylarylamines Benzylamines Aniline and substituted anilines Aralkylamines Dialkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenylmethylamine - Benzylamine - Aralkylamine - Tertiary amine - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - 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

• Peso molecular: 200.710 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.108 Da
• Monoisotopic Mass: 200.108 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 115.000
• 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: 2

XLogP3