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Phenylbiguanide - 10mM in DMSO, high purity , CAS No.102-02-3
Basic Description
Synonyms
phenylbiguanide | 1-Phenylbiguanide | 102-02-3 | Phenyl biguanide | Phenyldiguanide | phenyl diguanide | N-Phenyl-N'-guanylguanidine | Phenylguanide | N-phenylimidodicarbonimidic diamide | Imidodicarbonimidic diamide, N-phenyl- | 1-(diaminomethylidene)-2-phenylguanidine | N-ph
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
5-HT 3 receptor agonist (EC 50 = 0.64 nM). Increases dopamine release.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
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.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Guanidines
Intermediate Tree Nodes
Biguanides - Arylbiguanides
Direct Parent
1-arylbiguanides
Alternative Parents
Benzene and substituted derivatives Carboximidamides Organopnictogen compounds Imines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
1-arylbiguanide - Benzenoid - Monocyclic benzene moiety - Carboximidamide - Organopnictogen compound - Hydrocarbon derivative - Imine - Aromatic homomonocyclic compound
Description
This 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
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-(diaminomethylidene)-2-phenylguanidine
INCHI
InChI=1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)
InChIKey
CUQCMXFWIMOWRP-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)N=C(N)N=C(N)N
Isomeric SMILES
C1=CC=C(C=C1)N=C(N)N=C(N)N
WGK Germany
3
RTECS
DU2450000
PubChem CID
4780
Molecular Weight
177.21
Beilstein
12(3)807
Reaxy-Rn
610553
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
144 °C
Molecular Weight
177.210 g/mol
XLogP3
0.000
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
177.101 Da
Monoisotopic Mass
177.101 Da
Topological Polar Surface Area
103.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
211.000
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
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