N-Nitroso-N-methylaniline(NMPA) - ≥98% , CAS No.614-00-6

CAS: 614-00-6 Cat. No.: N134509 Peso molecular: 136.15 Beilstein Registry Number: 12(3)1119 Número EC: 210-366-5

GRADE & PURITY ≥98%

Synonyms

1-Methyl-2-oxo-1-phenylhydrazine # | 9SM68I29WQ | DTXCID801053 | HSDB 5072 | N-Nitrosomethylphenylamine | LS-13273 | N-Methyl-N-nitrosoaniline | N-methyl-N-nitroso-aniline | SCHEMBL301282 | F16699 | AI3-01373 | Methylnitrosoaniline | N-Methyl-N-phenylnitr

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

It is a nitrosylated N-methyl aniline that is described to form adducts with DNA. N-Nitroso-N-methylaniline is useful for studying enzymatic denitrosation processes. N-demethylation of N-Nitroso-N-methylaniline catalysed by cytochrome P450 is described to proceed through an electrophilic benzenediazonium ion which is demonstrated to form triazene DNA adducts at the N6-position of adenine residues
A compounds used to study enzymatic denitrosation

Specifications

Sinónimos

1-Methyl-2-oxo-1-phenylhydrazine # | 9SM68I29WQ | DTXCID801053 | HSDB 5072 | N-Nitrosomethylphenylamine | LS-13273 | N-Methyl-N-nitrosoaniline | N-methyl-N-nitroso-aniline | SCHEMBL301282 | F16699 | AI3-01373 | Methylnitrosoaniline | N-Methyl-N-phenylnitr

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181496
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181496
• Sonrisas canónicas: CN(C1=CC=CC=C1)N=O
• IUPAC Name: N-methyl-N-phenylnitrous amide
• InChIKey: MAXCWSIJKVASQC-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O/c1-9(8-10)7-5-3-2-4-6-7/h2-6H,1H3
• Isómeros SMILES: CN(C1=CC=CC=C1)N=O
• RTECS: BY5775000
• Número ONU: 2810
• Grupo de embalaje: III
• Peso molecular: 136.15
• Beilstein: 12(3)1119
• Reaxy-Rn: 1841401
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1841401&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylhydrazines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylhydrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylhydrazines
• Alternative Parents: Organic N-nitroso compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylhydrazine - Organic n-nitroso compound - Organic nitroso compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group.
• 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

Objetivos asociados (no humanos)

Papain (844 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Benzene and Chloroform
• Sensibilidad: Air sensitive
• Índice de refracción: 1.58
• Punto de ebullición (°C): 128°C/19mmHg
• Punto de fusión (°C): 13 °C
• Peso molecular: 136.150 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 136.064 Da
• Monoisotopic Mass: 136.064 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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