- InChI
- InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m0/s1
- InChI Key
- FDNDLNFGITWTOZ-IBGZPJMESA-N
- Formula
- C19H26N2
- SMILES
-
CCC12CCCN(CCc3c([nH]c4ccccc34)
CC1)C2 - Molecular Weight1
- 282.42
- CAS
- 4850-21-9
- Other Names
-
- 2H-3,7-Methanoazacycloundecino[5,4-b]indole, 7-ethyl-1,4,5,6,7,8,9,10-octahydro-, (R)-
- 2H-3,7-Methanoazacycloundecino[5,4-b]indole, 7-ethyl-1,4,5,6,7,8,9,10-octahydro-, (-)-
- Kamassine
- Quebrachamin
- 2H-3,7-Methanoazacycloundecino[5,4-b]indole, 7-ethyl-1,4,5,6,7,8,9
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5734 | Relay (1.0) Calculated Property | |
| ΔfG° | 369.12 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 62.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 114.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.667 | Crippen Calculated Property | |
| McVol | 237.890 | ml/mol | McGowan Calculated Property |
| Pc | 1859.56 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 498.03 | NIST | |
| Tboil | 700.34 | K | Relay (1.0) Calculated Property |
| Tc | 971.89 | K | Relay (1.0) Calculated Property |
| Tfus | 440.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.848 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Quebrachamine.
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
- Crippen Method
- McGowan Method
- NIST Webbook
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