Chemical Properties of Anatabine, N-acetyl

Anatabine, N-acetyl

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InChI
InChI=1S/C12H14N2O/c1-10(15)14-8-3-2-6-12(14)11-5-4-7-13-9-11/h2-5,7,9,12H,6,8H2,1H3
InChI Key
CAYYVQDGGHLYMO-UHFFFAOYSA-N
Formula
C12H14N2O
SMILES
CC(=O)N1CC=CCC1c1cccnc1
Molecular Weight1
202.25
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Physical Properties

Property Value Unit Source
ω 0.4156 Relay (... Calculated Property
ΔfG° 245.95 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas 43.37 kJ/mol Relay (... Calculated Property
ΔvapH° 88.77 kJ/mol Relay (... Calculated Property
IE 8.90 eV Relay (... Calculated Property
log10WS -0.44 Relay (... Calculated Property
logPoct/wat 1.931 Crippen Calculated Property
McVol 162.550 ml/mol McGowan Calculated Property
Pc 3078.04 kPa Relay (... Calculated Property ⚠️
Inp 1902.00 NIST
Tboil 597.16 K Relay (... Calculated Property
Tc 835.23 K Relay (... Calculated Property
Tfus 324.29 K Relay (... Calculated Property
Vc 0.558 m3/kmol Relay (... Calculated Property

Similar Compounds

Anatabine, N-formyl. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Anatabine, N-acetyl.

Sources

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