4-(Trifluoromethyl)benzamidine hydrochloride dihydrate

C₈H₁₂ClF₃N₂O₂CAS 175278-62-3260.64 g/mol

Open in Covalent MOL file

Alkyl halide Amidine

Properties

Molecular formula: C₈H₁₂ClF₃N₂O₂
Molar mass: 260.64 g/mol
Exact mass: 260.0539 Da
logP: 0.76Crippen estimate
Polar surface area: 112.9 Å²
H-bond donors / acceptors: 2 / 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

175278-62-3

SMILES

C1=CC(=CC=C1C(=N)N)C(F)(F)F.O.O.Cl

InChIKey

ZFGZRQQZWBYRRB-UHFFFAOYSA-N

InChI

InChI=1S/C8H7F3N2.ClH.2H2O/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;;;/h1-4H,(H3,12,13);1H;2*1H2

Weigh it out

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

Work with 4-(Trifluoromethyl)benzamidine hydrochloride dihydrate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-(Trifluoromethyl)benzamidine Hydrochloride38980-96-0Anhydrous

Similar compounds

Benzenecarboximidamide, hydrochloride, hydrate (1:1:?)206752-36-561 % similar 6-(Trifluoromethyl)pyridine-3-amidine hydrochloride221313-11-756 % similar 4-Fluorobenzamidine hydrochloride456-14-456 % similar p-Aminobenzamidine dihydrochloride2498-50-253 % similar Benzamidine hydrochloride1670-14-052 % similar 4-Chlorobenzamidine hydrochloride14401-51-551 % similar p-Hydroxybenzamidine monohydrochloride38148-63-951 % similar 4-Bromobenzene-1-carboximidamide hydrochloride55368-42-851 % similar

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

Elsewhere

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