N-Nitrosodiphenylamine - analytical standard , CAS No.86-30-6

CAS: 86-30-6 Cat. No.: N111863 Peso molecular: 198.22 Beilstein Registry Number: 909531 Número EC: 201-663-0

GRADE & PURITY Analytical standard

Synonyms

N-NITROSODIPHENYLAMINE|86-30-6|Diphenylnitrosamine|Benzenamine, N-nitroso-N-phenyl-|Nitrosodiphenylamine|Vultrol|N-Nitroso-N-phenylaniline|Retarder J|Redax|Vulcatard A|Vulkalent A|Ortard|Sconoc|Diphenylamine, N-nitroso-|Vulcalent A|Curetard A|Diphenylnitr

Storage

Room temperature,Argon charged

Shipped In

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Specifications

Sinónimos

N-NITROSODIPHENYLAMINE | 86-30-6 | Diphenylnitrosamine | Benzenamine, N-nitroso-N-phenyl- | Nitrosodiphenylamine | Vultrol | N-Nitroso-N-phenylaniline | Retarder J | Redax | Vulcatard A | Vulkalent A | Ortard | Sconoc | Diphenylamine, N-nitroso- | Vulcalent A | Curetard A | Diphenylnitr

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

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Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O
• IUPAC Name: N,N-diphenylnitrous amide
• InChIKey: UBUCNCOMADRQHX-UHFFFAOYSA-N
• INCHI: 1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
• Isómeros SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O
• WGK Alemania: 3
• RTECS: JJ9800000
• Número ONU: 3077
• Grupo de embalaje: III
• Peso molecular: 198.22
• Beilstein: 909531
• Reaxy-Rn: 909531
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=909531&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: phenylhydrazines

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 (humanos)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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

Objetivos asociados (no humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Punto de fusión (°C): 66.5°C
• Peso molecular: 198.220 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 198.079 Da
• Monoisotopic Mass: 198.079 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 178.000
• 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

Referencias

1. Huifa Meng, Kaijin Chen, Chuying Li, Yanwei He, Zihao Huang, Haitao Huang, Zhenguo Chi, Siwei Liu, Yi Zhang.  (2025)  Low-CTE, Strong-Adhesion, and High-Resolution Photosensitive Polyimide Materials for Advanced Packaging Applications: Structure and Properties.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c00001]

2. Zhenjie Zheng, Jingxuan Wang, Mengqi Ma, Yunpeng Xu, Da Huang, Jian Wang, Cuiying Lin, Zhenyu Lin, Fang Luo.  (2025)  Nanoconfined-structured Ru@COF-LZU1 microenvironment facilitated homogeneous electrochemiluminescence biosensor for ultrasensitive N-nitrosodimethylamine detection.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2025.138456]