chempirical

Potassium N-phenylglycinate

C8H8KNO2CAS 19525-59-8189.26 g/mol

Open in Covalent MOL file
O−OHNK+
Carboxylic acidSecondary amine

Properties

Molecular formula
C8H8KNO2
Molar mass
189.26 g/mol
Exact mass
189.0192 Da
logP
0.80Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
19525-59-8
SMILES
[O-]C(=O)CNc1ccccc1.[K+]
InChIKey
CZNJCUMJHDYOHK-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2.K/c10-8(11)6-9-7-4-2-1-3-5-7;/h1-5,9H,6H2,(H,10,11);

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

Names and synonyms

2 names
  • Glycine, N-phenyl-, potassium salt (1:1)
  • Glycine, N-phenyl-, monopotassium salt

Work with Potassium N-phenylglycinate

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

Potassium phenylacetate13005-36-258 % similar N-Phenylglycine103-01-550 % similar Sodium hippurate532-94-550 % similar Sodium phenylacetate114-70-547 % similar Benzylaniline103-32-245 % similar N-Phenylglycine ethyl ester2216-92-444 % similar Sodium phenylbutyrate1716-12-743 % similar Potassium α-naphthaleneacetate15165-79-443 % similar

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

Elsewhere

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