chempirical

1-[3,5-Bis(trifluoromethyl)phenyl]biguanide hydrochloride

C10H10ClF6N5CAS 36068-40-3349.67 g/mol

Open in Covalent MOL file
FFFNNH2NH2NNH2FFFHCl
Alkyl halideGuanidine

Properties

Molecular formula
C10H10ClF6N5
Molar mass
349.67 g/mol
Exact mass
349.0529 Da
logP
2.37Crippen estimate
Polar surface area
102.8 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
36068-40-3
SMILES
C1=C(C=C(C=C1C(F)(F)F)N=C(N)N=C(N)N)C(F)(F)F.Cl
InChIKey
VEHPYWMGWYCGTE-UHFFFAOYSA-N
InChI
InChI=1S/C10H9F6N5.ClH/c11-9(12,13)4-1-5(10(14,15)16)3-6(2-4)20-8(19)21-7(17)18;/h1-3H,(H6,17,18,19,20,21);1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-[3,5-Bis(trifluoromethyl)phenyl]biguanide hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Bis(trifluoromethyl)benzenesulphonylguanidine175136-69-345 % similar (3,5-Bis(trifluoromethyl)phenyl)hydrazine hydrochloride502496-23-344 % similar N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide38901-31-443 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-741 % similar 3,5-Bis(trifluoromethyl)benzohydrazide26107-82-440 % similar 3,5-Bis(trifluoromethyl)phenyl isocyanate16588-74-239 % similar 3,5-Bis(trifluoromethyl)phenyl isothiocyanate23165-29-939 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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