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102-02-3

102-02-3 Structure

102-02-3 Structure
IdentificationMore
[Name]

PHENYLBIGUANIDE
[CAS]

102-02-3
[Synonyms]

1-PHENYLBIGUANIDE
N-PHENYLIMINODICARBONIMIDIC-DIAMIDE
PHENYLBIGUANIDE
1-phenyl-biguanid
n-phenyl-n’-guanylguanidine
p1426
phenyl-biguanid
phenyldiguanide
2-(N2-Phenylamidino)guanidine
[EINECS(EC#)]

202-998-5
[Molecular Formula]

C8H11N5
[MDL Number]

MFCD00179077
[Molecular Weight]

177.21
[MOL File]

102-02-3.mol
Chemical PropertiesBack Directory
[Melting point ]

135-142 °C (lit.)
[Boiling point ]

299.13°C (rough estimate)
[density ]

1.2512 (rough estimate)
[refractive index ]

1.6900 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

alcohol: freely soluble
[form ]

powder to crystal
[pka]

10.76, 2.13(at 25℃)
[color ]

White to Orange to Green
[Merck ]

7276
[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]

NC(=N)\N=C(/N)Nc1ccccc1
[CAS DataBase Reference]

102-02-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
[WGK Germany ]

3
[RTECS ]

DU2450000
[HS Code ]

2925.29.6000
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

1-Phenylbiguanide is a 5-hydroxytryptamine receptor agonist.
[Definition]

ChEBI: A member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a phenyl group.
[General Description]

1-Phenylbiguanide is a 5-hydroxytryptamine receptor agonist and increases extracellular dopamine release in rat nucleus accumbens in vivo. It serves as building block for synthesis of heterocyclic compounds.
[in vivo]

In anaesthetised mice, Phenylbiguanide (PBG), a drug that is known to stimulate cardiopulmonary afferent C-fibres,is injected into the right atrium of the heart and mapped c-Fos expression within specific regions of the central nervous system. Intraatrial injection of PBG produces a reflex cardiorespiratory response including a pronounced bradycardia and a respiratory depression[3].

[IC 50]

5-HT3 Receptor: 3 μM (EC50)
[Purification Methods]

Crystallise the biguanide from water or toluene. [Beilstein 12 H 370, 12 I 236, 12 III 807.]
Spectrum DetailBack Directory
[Spectrum Detail]

PHENYLBIGUANIDE(102-02-3)1HNMR
PHENYLBIGUANIDE(102-02-3)Raman
PHENYLBIGUANIDE(102-02-3)FT-IR
PHENYLBIGUANIDE(102-02-3)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

102-02-3(sigmaaldrich)
[TCI AMERICA]

Phenylbiguanide,>93.0%(T)(102-02-3)
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