Chemical Properties of 2-Methyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate

2-Methyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate

InChI
InChI=1S/C20H22N2O2/c1-14(23)24-17-7-8-19-16(12-17)11-15-5-3-4-6-18(15)20-13-21(2)9-10-22(19)20/h3-8,12,20H,9-11,13H2,1-2H3
InChI Key
UTVHWJCHPKFLAJ-UHFFFAOYSA-N
Formula
C20H22N2O2
SMILES
CC(=O)Oc1ccc2c(c1)Cc1ccccc1C1CN(C)CCN21
Molecular Weight1
322.40
Other Names
  • Mianserin M(HO), acetylated
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Physical Properties

Property Value Unit Source
ω 0.7173 Relay (1.0) Calculated Property
ΔfG° 173.61 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -111.43 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 118.10 kJ/mol Relay (1.0) Calculated Property
IE 7.54 eV Relay (1.0) Calculated Property
log10WS -3.40 Relay (1.0) Calculated Property
logPoct/wat 3.009 Crippen Calculated Property
McVol 250.820 ml/mol McGowan Calculated Property
Pc 1711.28 kPa Relay (1.0-beta) Calculated Property
Inp [2581.00; 2581.00]   Show Hide
Inp 2581.00 NIST
Inp 2581.00 NIST
Tboil 717.38 K Relay (1.0) Calculated Property
Tc 996.21 K Relay (1.0) Calculated Property
Tfus 430.27 K Relay (1.0) Calculated Property
Vc 0.900 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate (ester). Mianserin. 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cycloheptene. N-Desmethyl mianserin. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. AJMALINE, M(DIHYDRO-), AC. 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 2-Methyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate.

Sources

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