Procaine hydrochloride | SBID = 487 | Compound |
Structure
Molecular Properties
| Interactions: | 12 | ||
| PubChem TPSA/Å2: | 55.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C13H21ClN2O2 | ||
| M / g/mol: | 272.77 | ||
| Complexity: | 222.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: aromatic, typical guest, drug
- Name: Procaine hydrochloride
- Preferred Abbreviation: Procaine hydrochloride
- IUPAC Name: 2-(diethylamino)ethyl 4-aminobenzoate;hydrochloride
- CAS: 51-05-8
- CID: 5795
- InChiKey: HCBIBCJNVBAKAB-UHFFFAOYSA-N
- InChi: InChI=1S/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H
- CanoSmiles: CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.Cl
- IsoSmiles: CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.Cl
