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M-Chlorophenylbiguanide hydrochloride

CAT: 1410-M27652-01Size: 1 EachDry Ice: NoHazardous: No
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Description
M-Chlorophenylbiguanide hydrochloride is a 5-HT3 receptor agonist.
CAS Number
2113-05-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
248.11
Molecular Formula
C8H11Cl2N5
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Imidodicarbonimidic diamide, N-(3-chlorophenyl)-, hydrochloride (1:1)
CAS Number2113-05-5
PubChem CID2730228
IUPAC Name2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride
Molecular FormulaC8H11Cl2N5
Molecular Weight248.11
Topological Polar Surface Area103
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity246
SMILES
C1=CC(=CC(=C1)Cl)N=C(N)N=C(N)N.Cl
InChI
InChI=1S/C8H10ClN5.ClH/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H
InChIKey
FOWAIJYHRWFTHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imidodicarbonimidic diamide, N-(3-chlorophenyl)-, hydrochloride (1:1)
CAS: 2113-05-5
CID: 2730228
Formula: C8H11Cl2N5
MW: 248.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.11
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass247.0391508
Monoisotopic Mass247.0391508
Topological Polar Surface Area103 Ų
Heavy Atom Count15
Formal Charge0
Complexity246
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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