chempirical

Guanine hydrochloride

C5H6ClN5OCAS 635-39-2187.59 g/mol

Open in Covalent MOL file
HClHNNOHNNHHN
Phenol

Properties

Molecular formula
C5H6ClN5O
Molar mass
187.59 g/mol
Exact mass
187.0261 Da
logP
-0.11Crippen estimate
Polar surface area
101.4 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
0

Identifiers

CAS number
635-39-2
SMILES
Cl.N=c1nc(O)c2nc[nH]c2[nH]1
InChIKey
IBAOFQIOOBQLHE-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N5O.ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;/h1H,(H4,6,7,8,9,10,11);1H

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Names and synonyms

4 names
  • 6H-Purin-6-one, 2-amino-1,9-dihydro-, hydrochloride (1:1)
  • Guanine, monohydrochloride
  • 6H-Purin-6-one, 2-amino-1,7-dihydro-, monohydrochloride
  • Guaninium chloride

Work with Guanine hydrochloride

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

Guanine73-40-590 % similar Guanine sulfate10333-92-372 % similar Thioguanine154-42-755 % similar 6-O-Methylguanine20535-83-555 % similar 8-Azaguanine134-58-749 % similar Pterin2236-60-449 % similar 8-Mercaptoguanine28128-40-748 % similar 2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride56830-58-144 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook