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Molecule
Glycine, N-Phenyl-, Potassium Salt (1:1)
CAS: 19525-59-8 · C8H9KNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19525-59-8
- Molecular Formula
- C8H9KNO2
- Molecular Mass
- 190.26 g/mol
Identifiers
CAS Registry Number
19525-59-8
SMILES
O=C(O)CNc1ccccc1.[K]
InChI Key
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);
Names and Synonyms
- Glycine, N-Phenyl-, Potassium Salt (1:1) Systematic Name
- Glycine, N-phenyl-, potassium salt (1:1) Synonym
- Glycine, N-phenyl-, monopotassium salt Synonym
- Potassium N-phenylglycinate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 190.26 g/mol | CAS Common Chemistry |
| 190.26299999999998 g/mol | RDKit | |
| 190.263 g/mol | RDKit | |
| 191.271 g/mol | chempirical lib | |
| Canonical SMILES | [K].O=C(O)CNC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H9NO2.K/c10-8(11)6-9-7-4-2-1-3-5-7;/h1-5,9H,6H2,(H,10,11); | CAS Common Chemistry |
| InChI Key | InChIKey=CZNJCUMJHDYOHK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Glycine, N-phenyl-, potassium salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 49.33 Ų | RDKit |
| LogP | 0.8023000000000001 | RDKit |
| 0.8023 | RDKit | |
| Molar Refractivity | 48.321500000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 190.027035208 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 190.26 g/mol. Edit any field — others recompute live.
