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

CAS: 135-88-6 Cat. No.: P140845 Molecular Weight: 219.28 Beilstein Registry Number: 2211188 EC Number: 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

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

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504751715
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751715
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2
• WGK Germany: 2
• RTECS: QM4550000
• UN Number: 3259
• Packing Group: I
• Molecular Weight: 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
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

Discover Target: THRB

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AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

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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

SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)

Discover Target: SMPD1

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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HepG2 (196354 Activities)

Explore this target

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

Discover Target: HSD17B10

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

Discover Target: APEX1

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

Discover Target: BRCA1

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Discover Target: HPGD

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Discover Target: RAPGEF4

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Associated Targets(non-human)

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Discover Target: Nfe2l2

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Discover Target: Nr1i2

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

vpr Aberrant vpr protein (14595 Activities)

Discover Target: vpr

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Mechanisms of Action

Chemical and Physical Properties

• Boil Point(°C): 395-395.5°C
• Melt Point(°C): 105-108°C
• Molecular Weight: 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

References

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]