chempirical

Dapi

C16H17Cl2N5CAS 28718-90-3350.25 g/mol

Open in Covalent MOL file
HClHClHNNH2NHNH2NH
Amidine

Properties

Molecular formula
C16H17Cl2N5
Molar mass
350.25 g/mol
Exact mass
349.0861 Da
logP
3.25Crippen estimate
Polar surface area
115.5 Ų
H-bond donors / acceptors
5 / 2
Rotatable bonds
3

Identifiers

CAS number
28718-90-3
SMILES
Cl.Cl.N=C(N)c1ccc(-c2cc3ccc(C(=N)N)cc3[nH]2)cc1
InChIKey
FPNZBYLXNYPRLR-UHFFFAOYSA-N
InChI
InChI=1S/C16H15N5.2ClH/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13;;/h1-8,21H,(H3,17,18)(H3,19,20);2*1H

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Names and synonyms

6 names
  • 1H-Indole-6-carboximidamide, 2-[4-(aminoiminomethyl)phenyl]-, hydrochloride (1:2)
  • Indole-6-carboxamidine, 2-(p-amidinophenyl)-, dihydrochloride
  • 1H-Indole-6-carboximidamide, 2-[4-(aminoiminomethyl)phenyl]-, dihydrochloride
  • 6-Amidino-2-(4-amidinophenyl)indole dihydrochloride
  • 4′,6-Diamidino-2-phenylindole dihydrochloride
  • FxCycle Violet

Work with Dapi

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

Biphenyl-4-carboxamidine hydrochloride111082-23-651 % similar p-Aminobenzamidine dihydrochloride2498-50-246 % similar 4-Chlorobenzamidine hydrochloride14401-51-545 % similar p-Hydroxybenzamidine monohydrochloride38148-63-945 % similar 4-Fluorobenzamidine hydrochloride456-14-445 % similar 4-Methylbenzamidine hydrochloride6326-27-845 % similar Benzamidine hydrochloride1670-14-045 % similar Benzenecarboximidamide, hydrochloride, hydrate (1:1:?)206752-36-541 % similar

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

Elsewhere

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