Chemical Properties of Atropine acetate (CAS 535995-20-1)

Atropine acetate

InChI
InChI=1S/C19H25NO4/c1-13(21)23-12-18(14-6-4-3-5-7-14)19(22)24-17-10-15-8-9-16(11-17)20(15)2/h3-7,15-18H,8-12H2,1-2H3
InChI Key
FFTQFHULPHYOIS-UHFFFAOYSA-N
Formula
C19H25NO4
SMILES
CC(=O)OCC(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1
Molecular Weight1
331.41
CAS
535995-20-1
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Physical Properties

Property Value Unit Source
ω 0.6697 Relay (1.0) Calculated Property
ΔfG° -169.38 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -670.93 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 104.99 kJ/mol Relay (1.0) Calculated Property
IE 7.78 eV Relay (1.0) Calculated Property
log10WS -2.08 Relay (1.0) Calculated Property
logPoct/wat 2.502 Crippen Calculated Property
McVol 257.950 ml/mol McGowan Calculated Property
Pc 1483.89 kPa Relay (1.0-beta) Calculated Property
Inp 2355.50 NIST
Tboil 649.07 K Relay (1.0) Calculated Property
Tc 919.34 K Relay (1.0) Calculated Property
Tfus 393.08 K Relay (1.0) Calculated Property
Vc 0.936 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Atropine formate. Atropine. Hyoscyamine. Benzeneacetic acid, «alpha»-[[(trimethylsilyl)oxy]methyl]-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(.+/-.)-. N-Acetyl noratropine. Noratropine. 3-Tropoyloxy-6-acetoxytropane. 6,7-Dehydrohyoscyamine. Tropate, TMS. Benzeneacetic acid, «alpha»-[[(trimethylsilyl)oxy]methyl]-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl ester, [7(S)-(1«alpha»,2«beta»,4«beta»,5«alpha»,7«beta»)]-. 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. 3-(2'-Hydroxytropoyloxy)-tropane. 6-(2-Methylbutyryloxy)-hyoscyamine.

Find more compounds similar to Atropine acetate.

Sources

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