- InChI
- InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3
- InChI Key
- YQYVFVRQLZMJKJ-UHFFFAOYSA-N
- Formula
- C18H25NO
- SMILES
-
CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1C
C1 - Molecular Weight1
- 271.40
- CAS
- 3572-80-3
- Other Names
-
- 2,6-Methano-3-benzazocin-8-ol, 3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-
- NIH 7981
- UM 407
- Win 20740
- WIN 20,740
- 2-Cyclopropylmethyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan
- 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3-(cyclopropylmethyl)-6,11-dimethyl-
- 3-(Cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
- 3-Cyclopropylmethyl-6(eq),11(ax)-dimethyl-2,6-methano-3-benzazocin-8-ol
- 2-Cyclopropylmethyl-5,9-dimethyl-2'-hydroxy-6,7-benzomorphan
- NSC-107429
- 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 | 0.6694 | Relay (... Calculated Property | |
| ΔfG° | 152.70 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -133.38 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 110.81 | kJ/mol | Relay (... Calculated Property |
| IE | 7.51 | eV | Relay (... Calculated Property |
| log10WS | -3.24 | Relay (... Calculated Property | |
| logPoct/wat | 3.326 | Crippen Calculated Property | |
| McVol | 223.990 | ml/mol | McGowan Calculated Property |
| Pc | 2146.35 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 641.78 | K | Relay (... Calculated Property |
| Tc | 920.36 | K | Relay (... Calculated Property |
| Tfus | 441.11 | K | Relay (... Calculated Property |
| Vc | 0.830 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Cyclazocine.
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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