Phenylbiguanide - ≥98% , CAS No.102-02-3

CAS: 102-02-3 Cat. No.: P160522 Peso molecular: 177.21 Beilstein Registry Number: 12(3)807 PubChem CID: 4780
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
BCBcMAP01_000062 | HMS500O04 | KBio2_002359 | NINDS_000282 | Phenyl biguanide | 1-(diaminomethylidene)-2-phenylguanidine | KBio3_002427 | MLS002153449 | NCGC00015783-01 | NCGC00024909-02 | SMR000434198 | Spectrum2_001190 | Spectrum4_000058 | SY053837 | HM
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
P160522-1g
3

21,90US$

32,90US$
Guardar 11,00 US$ (33.43%)
5g
P160522-5g
2

50,90US$

76,90US$
Guardar 26,00 US$ (33.81%)
25g
P160522-25g
1

183,90US$

275,90US$
Guardar 92,00 US$ (33.35%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Usually used in one pot synthesis of:4-chloro-2,5-dihydro-2,5-dioxonaphtho[1,2-d]imidazole-3-carboxylic acid phenyl amide, 6-chloro-8-phenylamino-9H-7,9,11-triaza-cyclohepta[a]naphthalene-5,10-dione,4-dimethylamino-5,10-dioxo-2-phenylimino-5,10-dihydro-2H-benzo[g]quinazoline-1-carboxylic acid amide.

Specifications

Sinónimos
BCBcMAP01_000062 | HMS500O04 | KBio2_002359 | NINDS_000282 | Phenyl biguanide | 1-(diaminomethylidene)-2-phenylguanidine | KBio3_002427 | MLS002153449 | NCGC00015783-01 | NCGC00024909-02 | SMR000434198 | Spectrum2_001190 | Spectrum4_000058 | SY053837 | HM
Especificaciones y pureza
≥98%
Mecanismos bioquímicos y fisiológicos
5-HT 3 receptor agonist (EC 50 = 0.64 nM). Increases dopamine release.
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Nota
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Pureza
≥98%
Nombres e identificadores
Pubchem Sid504750813
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504750813
Sonrisas canónicasC1=CC=C(C=C1)N=C(N)N=C(N)N
IUPAC Name1-(diaminomethylidene)-2-phenylguanidine
InChIKeyCUQCMXFWIMOWRP-UHFFFAOYSA-N
INCHI1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)
Isómeros SMILES C1=CC=C(C=C1)N=C(N)N=C(N)N
WGK Alemania 3
RTECS DU2450000
PubChem CID 4780
Peso molecular 177.21
Beilstein 12(3)807
Reaxy-Rn 610553

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
ClaseOrganonitrogen compounds
SubclassGuanidines
Intermediate Tree Nodes Biguanides - Arylbiguanides
Direct Parent1-arylbiguanides
Alternative Parents Benzene and substituted derivatives  Carboximidamides  Organopnictogen compounds  Imines  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 1-arylbiguanide - Benzenoid - Monocyclic benzene moiety - Carboximidamide - Organopnictogen compound - Hydrocarbon derivative - Imine - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as 1-arylbiguanides. These are organonitrogen compounds containing a biguanide that is N-arylsubstituted at only the 1-position.
External Descriptors guanidines
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
HTR3A Tclin 5-hydroxytryptamine receptor 3A (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ARSA Tbio Cerebroside-sulfatase (655 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BLM Tchem Bloom syndrome protein (4248 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ITGB3 Tclin Integrin alpha-V/beta-3 (2708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TAAR5 Tchem Trace amine-associated receptor 5 (2 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Oryctolagus cuniculus (11301 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hepatitis C virus (23859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Taar1 Trace amine-associated receptor 1 (899 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Htr3a Serotonin 3 (5-HT3) receptor (1834 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeFechaArticulo
G2514010Certificate of AnalysisJul 24, 2025 P160522
K2021032Certificate of AnalysisSep 14, 2024 P160522
K2021031Certificate of AnalysisSep 14, 2024 P160522
K2021030Certificate of AnalysisSep 14, 2024 P160522
Propiedades químicas y físicas
Punto de fusión (°C)144 °C
Peso molecular177.210 g/mol
XLogP30.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass177.101 Da
Monoisotopic Mass177.101 Da
Topological Polar Surface Area103.000 Ų
Heavy Atom Count13
Formal Charge0
Complexity211.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Bufan Yu, Xingxing Duan, Zhaohui Xing, Jiacheng Liu, Yutong Pan, Lei Wang, Jiangshan Chen, Dongge Ma.  (2025)  Multifunctional Biguanide Additive Stabilizes Chloride-Rich Quasi-2D Perovskites for Efficient and Stable Pure-Blue LEDs.  ACS Applied Materials & Interfaces,      [PMID:40757629] [10.1021/acsami.5c12585]
Calculadoras de soluciones
Reseñas

Reseñas de cliente

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.