Chemical Properties of diphenhydramine

diphenhydramine

InChI
InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)
InChI Key
DPSPPJIUMHPXMA-UHFFFAOYSA-N
Formula
C14H12FNO3
SMILES
CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23
Molecular Weight1
261.25
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Physical Properties

Property Value Unit Source
ω 0.8622 Relay (1.0) Calculated Property
ΔfG° -303.70 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -603.70 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 116.02 kJ/mol Relay (1.0) Calculated Property
IE 8.51 eV Relay (1.0) Calculated Property
log10WS -2.95 Aq. Solubility Prediction
logPoct/wat 2.346 Crippen Calculated Property
McVol 179.100 ml/mol McGowan Calculated Property
Pc 2406.59 kPa Relay (1.0-beta) Calculated Property
Tboil 649.00 K Relay (1.0) Calculated Property
Tc 982.48 K Relay (1.0) Calculated Property
Tfus 529.00 K Relay (1.0) Calculated Property
Vc 0.663 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nalmefene. 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 diphenhydramine.

Sources

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