3-Cyanobenzamidine Hydrochloride - CAS 228722-01-8

Catalog:	BB017782
Product Name:	3-Cyanobenzamidine Hydrochloride
CAS:	228722-01-8
Synonyms:	3-cyanobenzenecarboximidamide;hydrochloride; 3-cyanobenzenecarboximidamide;hydrochloride

Technical Data

Patents

Computed Properties

IUPAC Name:	3-cyanobenzenecarboximidamide;hydrochloride
Description:	3-Cyanobenzamidine Hydrochloride (CAS# 228722-01-8 ) is a useful research chemical.
Molecular Weight:	181.62
Molecular Formula:	C8H8ClN3
Canonical SMILES:	C1=CC(=CC(=C1)C(=N)N)C#N.Cl
InChI:	InChI=1S/C8H7N3.ClH/c9-5-6-2-1-3-7(4-6)8(10)11;/h1-4H,(H3,10,11);1H
InChI Key:	UIISHESBWIBGED-UHFFFAOYSA-N
MDL:	MFCD22480874
LogP:	2.44438

Publication Number	Title	Priority Date
US-2021230153-A1	Aryl hydrocarbon receptor (ahr) agonists and uses thereof	20191220
WO-2021127301-A1	4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
WO-2021116178-A1	Pyrazolotriazines	20191211
JP-2013075841-A	Novel triazine derivative, UV absorber	20110929
JP-5667955-B2	Novel triazine derivative, UV absorber	20110929

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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[32894-07-8]
Benzyl thioacetimidate hydrochloride
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

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Complexity:	201
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.040675
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	181.040675
Rotatable Bond Count:	1
Topological Polar Surface Area:	73.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0