Electrostatic potential surface for M120
This anaesthetic has more than one structural configuration. An example low energy conformer is shown.
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Surface view shows the electrostatic potential of the conformer mapped onto the solvent excluded surface, based on a probe of radius 1.4Å. Regions of negative potential are shown in red, positive in blue.
 
Structure Details
Structural Formula CH3-CH2-CH2OH
Molecular Formula C3H8O
Chemical Group Alcohol
Anaesthetic Type Alcohol
Chiral Structure No
molfield.org ID M120
CAS Number 71-23-8
ChEMBL (External Link) CHEMBL14687
ChEBI (External Link) CHEBI:28831
Drug Bank (External Link) DB03175
ChemSpider (External Link) 1004
PubChem (External Link) 1031
Chemicalize.org (External Link) CAS No 71-23-8
SMILES String CCCO
Molecular Weight (g.mol-1) 60.0953
In Vivo Activity Data
Immobility: MAC Rat (atm)0.000321 ± 0.000021 (n=11)Zhang Y, Trudell JR, Mascia MP, et al. Anesth Analg 2000;91:1294-9
Physical Properties
Saline / Gas Partition Coeff. at 37°C2550 ± 140 (n=4)Zhang Y, Trudell JR, Mascia MP, et al. Anesth Analg 2000;91:1294-9
Olive Oil / Gas Partition Coeff. at 37°C475 ± 60 (n=4)Zhang Y, Trudell JR, Mascia MP, et al. Anesth Analg 2000;91:1294-9
Vapour Pressure at 20°C (atm)0.02Zhang Y, Trudell JR, Mascia MP, et al. Anesth Analg 2000;91:1294-9
Calculated Molecular Properties
van der Waals Volume 67 Å3 
van der Waals Surface Area 112 Å2 
Solvent Accessible Volume 298 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 233 Å2(based on a 1.4Å probe)
All values are mean ± SD, except data labelled with † which are mean ± SEM. Use of this web site assumes acceptance of our Copyright & Licence conditions.
Database Version: 1.09.9     Last Updated: 21st February 2014