Chemical Properties of Littorine (CAS 21956-47-8)

Littorine

InChI
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
InChI Key
FNRXUEYLFZLOEZ-UHFFFAOYSA-N
Formula
C17H23NO3
SMILES
CN1C2CCC1CC(OC(=O)C(O)Cc1ccccc1)C2
Molecular Weight1
289.37
CAS
21956-47-8
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.7652 Relay (1.0) Calculated Property
Δf -94.37 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -502.41 kJ/mol Relay (1.0) Calculated Property
Δvap 108.40 kJ/mol Relay (1.0) Calculated Property
IE 8.13 eV Relay (1.0) Calculated Property
log10WS -0.97 Relay (1.0) Calculated Property
logPoct/wat 1.758 Crippen Calculated Property
McVol 228.200 ml/mol McGowan Calculated Property
Pc 1803.25 kPa Relay (1.0-beta) Calculated Property
Inp 2601.20 NIST
Tboil 636.88 K Relay (1.0) Calculated Property
Tc 917.73 K Relay (1.0) Calculated Property
Tfus 425.99 K Relay (1.0) Calculated Property
Vc 0.838 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

N-Acetyl norlittorine. Tropanyl (2-acetoxy-3-(para-hydroxyphenyl)propanoate). 6-Hydroxylittorine. Atropine. Hyoscyamine. Atropine formate. Atropine acetate. 6-(2-Methylbutyryloxy)-hyoscyamine. 3-Hydroxy-2-phenyl-propionic acid 6-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester. 6«beta»-Hydroxyhyoscyamine. Tropic acid, 6-hydroxy-3-tropanyl ester. N-Acetyl noratropine. 3-(2'-Hydroxytropoyloxy)-tropane. 6-Tigloyloxyhyoscyamine. Tropanyl indole-3-lactate.

Find more compounds similar to Littorine.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.