- InChI
- InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
- InChI Key
- LEBVLXFERQHONN-UHFFFAOYSA-N
- Formula
- C18H28N2O
- SMILES
- CCCCN1CCCCC1C(O)=Nc1c(C)cccc1C
- Molecular Weight1
- 288.43
- CAS
- 38396-39-3
- Other Names
-
- (.+/-.)-1-Butyl-2',6'-pipecoloxylidide
- (.+/-.)-Bupivacaine
- (±)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
- (±)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
- 1-Butyl-2',6'-pipecoloxylidide
- 1-Butyl-N-(2,6-dimethylphenyl)-2-piperidinecarboxamide
- 2',6'-Pipecoloxylidide, 1-butyl-
- 2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-
- 2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, (.+/-.)-
- Anekain
- Carbostesin
- DL-Bupivacaine
- Marcaine
- Win 11318
- bupibacaine
- dl-1-Butyl-2',6'-pipecoloxylidide
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8248 | Relay (1.0) Calculated Property | |
| ΔfG° | 204.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -204.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.22 | Aq. Solubility Prediction | |
| logPoct/wat | 4.546 | Crippen Calculated Property | |
| McVol | 251.390 | ml/mol | McGowan Calculated Property |
| Pc | 1792.29 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 641.64 | K | Relay (1.0) Calculated Property |
| Tc | 878.12 | K | Relay (1.0) Calculated Property |
| Tfus | 370.65 | K | Aq. Solubility Prediction |
| Vc | 0.879 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Bupivacaine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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