chempirical

3,6-Diamino-10-methylacridinium chloride-3,6-acridinediamine mixt.

C27H25ClN6CAS 8048-52-0468.99 g/mol

Open in Covalent MOL file
N+NH2H2NH2NNH2NCl−
Primary amine

Properties

Molecular formula
C27H25ClN6
Molar mass
468.99 g/mol
Exact mass
468.1829 Da
logP
1.54Crippen estimate
Polar surface area
120.8 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
0

Identifiers

CAS number
8048-52-0
SMILES
C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Nc1ccc2cc3ccc(N)cc3nc2c1.[Cl-]
InChIKey
PEJLNXHANOHNSU-UHFFFAOYSA-N
InChI
InChI=1S/C14H13N3.C13H11N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;1H

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Names and synonyms

2 names
  • Acridinium, 3,6-diamino-10-methyl-, chloride, mixt. with 3,6-acridinediamine
  • 3,6-Acridinediamine, mixt. contg.

Work with 3,6-Diamino-10-methylacridinium chloride-3,6-acridinediamine mixt.

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

Proflavine monohydrochloride952-23-856 % similar Thionine581-64-641 % similar 6-Amino-2-methylquinoline65079-19-840 % similar Azure A531-53-336 % similar Azure C531-57-736 % similar 7-Aminoquinoline580-19-836 % similar 1H-Indazol-6-amine6967-12-036 % similar N,N,N′,N′-Tetramethylacridine-3,6-diamine monohydrochloride compd. with zinc dichloride10127-02-335 % similar

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

Elsewhere

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