ethyl 4-aminobenzoate | SBID = 2640 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 52.3 | ||
| Ertl TPSA/Å2: | 52.32 | ||
| Hydrophilicity (PubChem XLogP): | 1.9 | ||
| Hydrophilicity (Cheng XLogP3): | 1.86 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 133.6 | ||
| Sum Formula: | C9H11NO2 | ||
| M / g/mol: | 165.19 | ||
| Complexity: | 151.0 | ||
| Number of Conformers: | 7.0 |
Identifiers
- Tags:
- Name: ethyl 4-aminobenzoate
- Preferred Abbreviation: benzocaine
- IUPAC Name: ethyl 4-aminobenzoate
- CAS:
- CID: 2337
- InChiKey: BLFLLBZGZJTVJG-UHFFFAOYSA-N
- InChi: InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
- CanoSmiles: CCOC(=O)C1=CC=C(C=C1)N
- IsoSmiles: CCOC(=O)C1=CC=C(C=C1)N
