chempirical

Proflavine monohydrochloride

C13H12ClN3CAS 952-23-8245.71 g/mol

Open in Covalent MOL file
HClH2NNH2N
Primary amine

Properties

Molecular formula
C13H12ClN3
Molar mass
245.71 g/mol
Exact mass
245.0720 Da
logP
2.97Crippen estimate
Polar surface area
64.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Identifiers

CAS number
952-23-8
SMILES
Cl.Nc1ccc2cc3ccc(N)cc3nc2c1
InChIKey
PBBGTVBGXBUVLT-UHFFFAOYSA-N
InChI
InChI=1S/C13H11N3.ClH/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h1-7H,14-15H2;1H

Weigh it out

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Names and synonyms

7 names
  • 3,6-Acridinediamine, hydrochloride (1:1)
  • Acridine, 3,6-diamino-, monohydrochloride
  • 3,6-Acridinediamine, monohydrochloride
  • 3,6-Diaminoacridinium chloride
  • Proflavine hydrochloride
  • 3,6-Diaminoacridine monohydrochloride
  • NSC 605756

Work with Proflavine monohydrochloride

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

3,6-Diamino-10-methylacridinium chloride-3,6-acridinediamine mixt.8048-52-056 % similar Acridine monohydrochloride17784-47-350 % similar 6-Amino-2-methylquinoline65079-19-848 % similar 7-Aminoquinoline580-19-847 % similar 1H-Indazol-6-amine6967-12-047 % similar 1,4-Diaminobenzene dihydrochloride624-18-046 % similar 2-Aminoanthracene613-13-845 % similar 1,2,4-Triaminobenzene dihydrochloride615-47-445 % similar

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

Elsewhere

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