Diphenyl guanidine - analytical standard, ≥99.5%(HPLC), for titrimetry , CAS No.102-06-7

CAS: 102-06-7 Cat. No.: D109221 Peso molecular: 211.26 Beilstein Registry Number: 1875653 Número EC: 203-002-1

GRADE & PURITY Analytical standard, ≥99.5%(HPLC), for titrimetry

Synonyms

1,3-Diphenylguanidine | CAS-102-06-7 | F3096-1727 | phenax | Tox21_110998 | Tox21_110998_1 | Tox21_400041 | Cambridge id 5539652 | NSC3272NSC 3272 | 1,3-Difenylguanid [Czech] | Denax DPG | Vanax DPG | NCGC00090698-06 | HMS548O11 | 1,3-Difenylguanid | FT-0

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1, 3-Diphenylguanidine | CAS-102-06-7 | F3096-1727 | phenax | Tox21_110998 | Tox21_110998_1 | Tox21_400041 | Cambridge id 5539652 | NSC3272NSC 3272 | 1, 3-Difenylguanid [Czech] | Denax DPG | Vanax DPG | NCGC00090698-06 | HMS548O11 | 1, 3-Difenylguanid | FT-0

Especificaciones y pureza

analytical standard, ≥99.5%(HPLC), for titrimetry

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Pureza

≥99.5%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N
• IUPAC Name: 1,2-diphenylguanidine
• InChIKey: OWRCNXZUPFZXOS-UHFFFAOYSA-N
• INCHI: 1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)
• Isómeros SMILES: C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N
• WGK Alemania: 2
• RTECS: MF0875000
• Número ONU: 3077
• Grupo de embalaje: III
• Peso molecular: 211.26
• Beilstein: 1875653
• Reaxy-Rn: 642243
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=642243&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Guanidines Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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 (humanos)

SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (4 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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HMGCR Tclin HMG-CoA reductase (2475 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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INSR Tclin Insulin receptor (5558 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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ACE Tclin Angiotensin-converting enzyme (1423 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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DRD4 Tchem Dopamine D4 receptor (7907 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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HRH2 Tclin Histamine H2 receptor (5428 Activities)

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ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)

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HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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

HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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CALCR Tclin Calcitonin receptor (2215 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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

HRH1 Tclin Histamine H1 receptor (7573 Activities)

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ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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

HTR4 Tclin Serotonin 4 (5-HT4) receptor (2068 Activities)

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ESR2 Tclin Estrogen receptor beta (9272 Activities)

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CYSLTR1 Tclin Cysteinyl leukotriene receptor 1 (2118 Activities)

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ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)

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CHRM4 Tclin Muscarinic acetylcholine receptor M4 (6041 Activities)

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CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)

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Objetivos asociados (no humanos)

Agtr2 Angiotensin II type 2 (AT-2) receptor (803 Activities)

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Mc4r Melanocortin receptor 4 (1205 Activities)

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Ltc4s Leukotriene C4 synthase (1 Activities)

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Sigmar1 Sigma opioid receptor (160 Activities)

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Npy1r Neuropeptide Y receptor type 1 (8 Activities)

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Cckar Cholecystokinin A receptor (90 Activities)

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Nos2 Nitric oxide synthase, inducible (3573 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Mmp9 Matrix metalloproteinase 9 (38 Activities)

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Plasmodium falciparum (966862 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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

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Trpc4 Short transient receptor potential channel 4 (1615 Activities)

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Grin1 Glutamate NMDA receptor (6467 Activities)

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Glra2 Glycine receptor (1745 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water, insoluble in gasoline, soluble in ethanol, chloroform, acetone, methanol, and xylene.
• Punto de fusión (°C): 150°C
• Peso molecular: 211.260 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 211.111 Da
• Monoisotopic Mass: 211.111 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 225.000
• 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. Xu Han, Wenke Li, Yumei Ji, Lianfeng Wu, Yike Yang, Feng Liu.  (2023)  Strengthening the mechanical properties of polysulfide adhesives by introducing polyurethane.  JOURNAL OF APPLIED POLYMER SCIENCE,  141  (12): (e55123).  [PMID:] [10.1002/app.55123]

2. Jinbin Lai, Ting Tang, Xiaodong Du, Rui Wang, Jiahao Liang, Dehao Song, Zhi Dang, Guining Lu.  (2023)  Oxidation of 1,3-diphenylguanidine (DPG) by goethite activated persulfate: Mechanisms, products identification and reaction sites prediction.  ENVIRONMENTAL RESEARCH,      [PMID:37290617] [10.1016/j.envres.2023.116308]

3. Yanping Wu, Jia Dong, Congzhi Sun, Jinlong Li, Jianmin Chen.  (2020)  A novel methodology for evaluating wear behavior of rubber composites under combination of sliding and rolling conditions.  POLYMER ENGINEERING AND SCIENCE,  60  (9): (2122-2132).  [PMID:] [10.1002/pen.25456]

4. Jing Wang, Hongqiang Li, Lin Zhang, Xuejun Lai, Wenjian Wu, Xingrong Zeng.  (2018)  In situ preparation of reduced graphene oxide reinforced acrylic rubber by self-assembly.  JOURNAL OF APPLIED POLYMER SCIENCE,  136  (11): (47187).  [PMID:] [10.1002/app.47187]

5. Yanping Wu, Jia Dong, Rui Yuan, Hongqi Wan, Lei Chen, Jinlong Li, Huidi Zhou, Jianmin Chen.  (2018)  Investigate on mechanical and tribological properties of solution styrene butadiene and butadiene rubber composites.  POLYMERS FOR ADVANCED TECHNOLOGIES,  29  (10): (2674-2682).  [PMID:] [10.1002/pat.4381]

6. Yanping Wu, Lei Chen, Songlv Qin, Jinlong Li, Huidi Zhou, Jianmin Chen.  (2017)  Functionalized graphene-reinforced rubber composite: Mechanical and tribological behavior study.  JOURNAL OF APPLIED POLYMER SCIENCE,  134  (25):   [PMID:] [10.1002/app.44970]

7. Yanping Wu, Lei Chen, Jinlong Li, Huidi Zhou, Haichao Zhao, Jianmin Chen.  (2017)  Understanding the mechanical and tribological properties of solution styrene butadiene rubber composites based on partially graphene oxide.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2017.02.017]

8. Yanping Wu, Yang Zhou, Jinlong Li, Huidi Zhou, Haichao Zhao, Jianmin Chen.  (2016)  Influence of fillers dispersion on friction and wear performance of solution styrene butadiene rubber composites.  JOURNAL OF APPLIED POLYMER SCIENCE,  133  (26):   [PMID:] [10.1002/app.43589]

9. Y.P. Wu, Y. Zhou, J.L. Li, H.D. Zhou, J.M. Chen, H.C. Zhao.  (2016)  A comparative study on wear behavior and mechanism of styrene butadiene rubber under dry and wet conditions.  WEAR,      [PMID:] [10.1016/j.wear.2016.01.025]

10. Xu Han, Zhijian Pan, Le Chang, Yumei Ji, Zeqian Wang, Feng Liu.  (2024)  Effect of Hard Segment Content and Molecular Weight of Liquid Polysulfide on the Microphase Separation Structure–Property of One-Component Polysulfide Adhesives.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.56577]

11. Xiaoye Li, Huamin Liu, Yuanyuan Xue, Yanchao Zhu, Juntao Li, Xinyao Li, Shuang Gao.  (2024)  Study on properties of natural latex foam composites modified by corn straw-derived biomass fiber.  POLYMER ENGINEERING AND SCIENCE,      [PMID:] [10.1002/pen.27064]

12. Xu Han, Le Chang, Zeqian Wang, Xinfang Zhang, Feng Liu.  (2025)  Dual silicon side chain modification of one-component polysulfide adhesives for excellent mechanical properties and solvent resistance.  Polymer Chemistry,      [PMID:] [10.1039/D5PY00665A]

13. Chaoyi Qiu, Xia Lin, Zhiwei Chen, Lingchang Wu, Zhichao Wang, Haoxiang Yu, Lei Yan, Peng Li, Liyuan Zhang, Ting-Feng Yi, Jie Shu.  (2026)  In Situ Copper-Mediated Electron Bridge Revolutionizes Aqueous Sulfur-Based Batteries.  ADVANCED MATERIALS,      [PMID:41691382] [10.1002/adma.202520299]