chempirical

Phenol, 2,2′-methylenebis[4-amino-, hydrochloride (1:2)

C13H16Cl2N2O2CAS 27311-52-0303.18 g/mol

Open in Covalent MOL file
HClHClNH2OHNH2OH
PhenolPrimary amine

Properties

Molecular formula
C13H16Cl2N2O2
Molar mass
303.18 g/mol
Exact mass
302.0589 Da
Melting point
above 300 °C
logP
2.70Crippen estimate
Polar surface area
92.5 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
2

Identifiers

CAS number
27311-52-0
SMILES
Cl.Cl.Nc1ccc(O)c(Cc2cc(N)ccc2O)c1
InChIKey
WKERZZAEPVPFPO-UHFFFAOYSA-N
InChI
InChI=1S/C13H14N2O2.2ClH/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17;;/h1-4,6-7,16-17H,5,14-15H2;2*1H

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Names and synonyms

1 names
  • Phenol, 2,2′-methylenebis[4-amino-, dihydrochloride

Work with Phenol, 2,2′-methylenebis[4-amino-, hydrochloride (1:2)

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

2,7-Diaminofluorene dihydrochloride13548-69-162 % similar Dianol137-09-760 % similar 2,7-Diaminofluorene525-64-452 % similar 2,2'-Methylenebis(4-chlorophenol)1322-43-647 % similar 4-Amino-2-bromophenol16750-67-747 % similar 4-Amino-2-methylphenol2835-96-347 % similar 4-Amino-2-chlorophenol3964-52-147 % similar Dichlorophen97-23-447 % similar

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

Elsewhere

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