Chemical Properties of RTI 6

RTI 6

InChI
InChI=1S/C16H19N5O2/c1-3-21-14-11(5-4-8-17-14)16(23)18-12-6-7-13(19-15(12)21)20(2)9-10-22/h4-8,22H,3,9-10H2,1-2H3,(H,18,23)
InChI Key
RSPPUQXSQYBMEE-UHFFFAOYSA-N
Formula
C16H19N5O2
SMILES
CCN1c2nc(N(C)CCO)ccc2NC(=O)c2cccnc21
Molecular Weight1
313.36
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Physical Properties

Property Value Unit Source
ω 1.0104 Relay (1.0) Calculated Property
ΔfG° 249.38 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -107.64 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 130.39 kJ/mol Relay (1.0) Calculated Property
IE 7.69 eV Relay (1.0) Calculated Property
log10WS -3.36 Estimated Solubility
logPoct/wat 1.629 Crippen Calculated Property
McVol 235.260 ml/mol McGowan Calculated Property
Pc 2854.28 kPa Relay (1.0-beta) Calculated Property
Tboil 723.31 K Relay (1.0) Calculated Property
Tc 1110.76 K Relay (1.0) Calculated Property
Tfus 472.66 K Relay (1.0) Calculated Property
Vc 0.846 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

RTI 13. RTI 15. nevirapine. 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 RTI 6.

Sources

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