1-Phenylbiguanide - CAS 102-02-3

Catalog:	BB000751
Product Name:	1-Phenylbiguanide
CAS:	102-02-3
Synonyms:	1-(diaminomethylidene)-2-phenylguanidine

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	1-(diaminomethylidene)-2-phenylguanidine
Description:	1-Phenylbiguanide is a 5-hydroxytryptamine 3 (5-HT3) receptor agonist.
Molecular Weight:	177.21
Molecular Formula:	C8H11N5
Canonical SMILES:	C1=CC=C(C=C1)N=C(N)N=C(N)N
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)
InChI Key:	CUQCMXFWIMOWRP-UHFFFAOYSA-N
Boiling Point:	388.4 °C at 760 mmHg
Melting Point:	135-142 °C (lit.)
Purity:	95 %
Density:	1.33 g/cm³
Solubility:	>26.6 [ug/mL] (The mean of the results at pH 7.4)
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD00179077
LogP:	1.88000

Publication Number	Title	Priority Date
WO-2021078810-A1	Schizophrenic disorder treatment using combination therapy	20191021
WO-2021059972-A1	Curable composition	20190925
WO-2021061533-A1	Curable compositions with acrylic and silicone resins	20190924
US-2021080828-A1	Resist composition and patterning process	20190913
WO-2021049208-A1	Treatment liquid, kit, treatment liquid production method, substrate cleaning method, and substrate treatment method	20190909

PMID	Publication Date	Title	Journal
29471072	20180401	Neuroreflex control of cardiovascular function is impaired after acute poisoning with chlorpyrifos, an organophosphorus insecticide: Possible short and long term clinical implications	Toxicology
26456648	20151127	Activation and modulation of recombinantly expressed serotonin receptor type 3A by terpenes and pungent substances	Biochemical and biophysical research communications
23041044	20121114	Bisphenol A attenuates phenylbiguanide-induced cardio-respiratory reflexes in anaesthetized rats	Neuroscience letters
22820164	20121001	Mechanisms underlying the augmentation of phenylbiguanide and capsaicin induced cardiorespiratory reflexes by Mesobuthus tamulus venom	Pulmonary pharmacology & therapeutics
22796630	20120930	Activation of opioid μ-receptors, but not δ- or κ-receptors, switches pulmonary C-fiber-mediated rapid shallow breathing into an apnea in anesthetized rats	Respiratory physiology & neurobiology

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Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.10144537
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	177.10144537
Rotatable Bond Count:	2
Topological Polar Surface Area:	103
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0