N-Phenyl-2-naphthylamine - ≥96% , CAS No.135-88-6

CAS: 135-88-6 Cat. No.: P140845 Peso molecular: 219.28 Beilstein Registry Number: 2211188 Número EC: 205-223-9

GRADE & PURITY ≥96%

Synonyms

456KT854AJ | CHEBI:34877 | N-Phenyl-2-naphthylamine | Phenyl-beta-naphtilamine | Neozone D | A807001 | Antioxidant PBN | N-PHENYL-2-NAPHTHYLAMINE [IARC] | PBNA | InChI=1/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17 | N-Phenyl-beta-n

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

456KT854AJ | CHEBI:34877 | N-Phenyl-2-naphthylamine | Phenyl-beta-naphtilamine | Neozone D | A807001 | Antioxidant PBN | N-PHENYL-2-NAPHTHYLAMINE [IARC] | PBNA | InChI=1/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12, 17 | N-Phenyl-beta-n

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504751715
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751715
• Sonrisas canónicas: C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2
• IUPAC Name: N-phenylnaphthalen-2-amine
• InChIKey: KEQFTVQCIQJIQW-UHFFFAOYSA-N
• INCHI: 1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H
• Isómeros SMILES: C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2
• WGK Alemania: 2
• RTECS: QM4550000
• Número ONU: 3259
• Grupo de embalaje: I
• Peso molecular: 219.28
• Beilstein: 2211188
• Reaxy-Rn: 2211188
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211188&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aniline and substituted anilines Secondary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aniline or substituted anilines - Monocyclic benzene moiety - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• External Descriptors: naphthalenes

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)

AR Tclin Androgen Receptor (11781 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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HepG2 (196354 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

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Objetivos asociados (no humanos)

lef Anthrax lethal factor (7585 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

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vpr Aberrant vpr protein (14595 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 395-395.5°C
• Punto de fusión (°C): 105-108°C
• Peso molecular: 219.280 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 219.105 Da
• Monoisotopic Mass: 219.105 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 232.000
• 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. Jun Zeng, YingJun Li, YingChun Lu, YunPeng Li, HuiPing Liu, CongXiu Wu, MengXi Chen, Wei OuYang, YiPeng Zhang, YuanLin Zhou.  (2023)  Preparation of Bi2O3@PCPA-KH590/chloroprene composites with good mechanical properties under high-filling.  JOURNAL OF APPLIED POLYMER SCIENCE,  141  (2): (e54782).  [PMID:] [10.1002/app.54782]

2. Chenglong Sun, Wei Liu, Shuangshuang Ma, Minmin Zhang, Yanling Geng, Xiao Wang.  (2019)  Development of a high-coverage matrix-assisted laser desorption/ionization mass spectrometry imaging method for visualizing the spatial dynamics of functional metabolites in Salvia miltiorrhiza Bge.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:31753480] [10.1016/j.chroma.2019.460704]

3. Rui Liu, Xiaofei Ran, Fang Bai, Jinzhu Xu, Songqi Yang, Junqiong Shi, Zhongxing Wu.  (2015)  Use of chlorophyll a fluorescence to elucidate the toxicity target of N-phenyl-2-naphthylamine on photosynthetic system of Cylindrospermopsis raciborskii (Cyanobacteria).  PHYCOLOGIA,      [PMID:] [10.2216/14-050.1]

4. Feng Li, Ruoxi Yang, Jian Xu, Guohai Xu, Ye Wu.  (2024)  Detecting N-Phenyl-2-Naphthylamine, L-Arabinose, D-Mannose, L-Phenylalanine, L-Methionine, and D-Trehalose via Photocurrent Measurement.  Gels,  10  (12): (808).  [PMID:39727566] [10.3390/gels10120808]

5. Xue-Liang Ni, Jia-Le Li, Jia-Hao Lv, Zhi-Jie Liao, Chen Yang, Jun Zeng, Ying-Jun Li, Yin-Tao Li, Yuan-Lin Zhou, Quan-Ping Zhang.  (2024)  Intensely bonded high filling bismuth oxide with chloroprene rubber to achieve lead-free flexible materials for γ-rays shielding.  Radiation Effects and Defects in Solids,      [PMID:] [10.1080/10420150.2024.2347500]

6. Tianxiang Li, Zhengren Shi, Xianru He, Ping Jiang, Xiaobin Lu, Rui Zhang, Xin Wang.  (2018)  Aging-Resistant Functionalized LDH–SAS/Nitrile-Butadiene Rubber Composites: Preparation and Study of Aging Kinetics/Anti-Aging Mechanism.  Materials,  11  (5): (836).  [PMID:29783656] [10.3390/ma11050836]