Chemical Properties of 6-(2-Methylbutyryloxy)-hyoscyamine

6-(2-Methylbutyryloxy)-hyoscyamine

InChI
InChI=1S/C22H31NO5/c1-4-14(2)21(25)28-20-11-16-10-17(12-19(20)23(16)3)27-22(26)18(13-24)15-8-6-5-7-9-15/h5-9,14,16-20,24H,4,10-13H2,1-3H3/t14?,16-,17-,18-,19+,20-/m0/s1
InChI Key
ATYKKAWWFYYZJF-QHGFLKOESA-N
Formula
C22H31NO5
SMILES
CCC(C)C(=O)OC1CC2CC(OC(=O)C(CO)c3ccccc3)CC1N2C
Molecular Weight1
389.49
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 0.9226 Relay (1.0) Calculated Property
Δf -271.79 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -923.72 kJ/mol Relay (1.0) Calculated Property
Δvap 122.26 kJ/mol Relay (1.0) Calculated Property
IE 8.13 eV Relay (1.0) Calculated Property
log10WS -2.67 Relay (1.0) Calculated Property
logPoct/wat 2.499 Crippen Calculated Property
McVol 306.090 ml/mol McGowan Calculated Property
Pc 1105.37 kPa Relay (1.0-beta) Calculated Property
Inp 2539.00 NIST
Tboil 681.95 K Relay (1.0) Calculated Property
Tc 979.94 K Relay (1.0) Calculated Property
Tfus 415.35 K Relay (1.0) Calculated Property
Vc 1.100 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

6-Tigloyloxyhyoscyamine. 3-Tropoyloxy-6-acetoxytropane. 3-Hydroxy-2-phenyl-propionic acid 6-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester. Tropic acid, 6-hydroxy-3-tropanyl ester. 6«beta»-Hydroxyhyoscyamine. Aposcopolamine. Methylscopolamine. Scopolamine. Atropine, picolinyloxydimethylsilyl ether. 5-Methyluridine, 2',3',5'-tris-O-TBDMS. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TMS. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TBDMS. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TMS.

Find more compounds similar to 6-(2-Methylbutyryloxy)-hyoscyamine.

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.