chempirical

4,6-Diaminoresorcinol

C6H8N2O2CAS 15791-87-4140.14 g/mol

Open in Covalent MOL file
H2NNH2OHHO
PhenolPrimary amine

Properties

Molecular formula
C6H8N2O2
Molar mass
140.14 g/mol
Exact mass
140.0586 Da
logP
0.26Crippen estimate
Polar surface area
92.5 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
0

Identifiers

CAS number
15791-87-4
SMILES
Nc1cc(N)c(O)cc1O
InChIKey
DPYROBMRMXHROQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O2/c7-3-1-4(8)6(10)2-5(3)9/h1-2,9-10H,7-8H2

Weigh it out

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

Names and synonyms

9 names
  • 1,3-Benzenediol, 4,6-diamino-
  • Resorcinol, 4,6-diamino-
  • 4,6-Diamino-1,3-benzenediol
  • 1,3-Diamino-4,6-dihydroxybenzene
  • 1,3-Dihydroxy-4,6-diaminobenzene
  • 4,6-Diaminoresorcin
  • 2,4-Diaminobenzene-1,5-diol
  • 5-Hydroxy-2,4-diaminophenol
  • 4,6-Diamino-1,3-dihydroxybenzene

Work with 4,6-Diaminoresorcinol

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

4,6-Diaminoresorcinol dihydrochloride16523-31-283 % similar 3-Amino-2-naphthol5417-63-057 % similar 3,3′-Dihydroxy-4,4′-diaminobiphenyl2373-98-055 % similar 2-Amino-5-methylphenol2835-98-548 % similar 2-Amino-5-chlorophenol28443-50-748 % similar 2-Amino-5-bromophenol38191-34-348 % similar 2-Amino-4-fluorophenol399-97-348 % similar 2-Amino-5-fluorophenol53981-24-148 % similar

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

Same formula

3,5-Dimethyl-1H-pyrazole-4-carboxylic acid113808-86-9 Methyl 1-methyl-1H-pyrazole-3-carboxylate17827-61-1 5,6-Dimethyluracil26305-13-5 Ethyl 1H-pyrazole-4-carboxylate37622-90-5 5-Ethyl-2,4(1H,3H)-pyrimidinedione4212-49-1 Tetramethylene diisocyanate4538-37-8 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid5744-59-2 Gaboxadol64603-91-4

Elsewhere

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