Chemical Properties of N-beta-hydroxyethyl-n,n'-bis-(4-(6-methyl)-1,3,3a,7-tetrazaindenyl)ethylenediamine (CAS 111472-54-9)

N-beta-hydroxyethyl-n,n'-bis-(4-(6-methyl)-1,3,3a,7-tetrazaindenyl)ethylenediamine

InChI
InChI=1S/C16H20N10O/c1-11-7-13(25-15(22-11)18-9-20-25)17-3-4-24(5-6-27)14-8-12(2)23-16-19-10-21-26(14)16/h7-10,17,27H,3-6H2,1-2H3
InChI Key
BRPFGTWIGUWOBJ-UHFFFAOYSA-N
Formula
C16H20N10O
SMILES
Cc1cc(NCCN(CCO)c2cc(C)nc3ncnn23)n2ncnc2n1
Molecular Weight1
368.40
CAS
111472-54-9
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Physical Properties

Property Value Unit Source
ω 1.1475 Relay (1.0) Calculated Property
ΔfG° 667.16 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 393.44 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 170.73 kJ/mol Relay (1.0) Calculated Property
IE 8.06 eV Relay (1.0) Calculated Property
log10WS -3.95 Relay (1.0) Calculated Property
logPoct/wat 0.090 Crippen Calculated Property
McVol 264.130 ml/mol McGowan Calculated Property
Pc 3480.54 kPa Relay (1.0-beta) Calculated Property
Tboil 763.44 K Relay (1.0) Calculated Property
Tc 1228.81 K Relay (1.0) Calculated Property
Tfus 466.34 K Relay (1.0) Calculated Property
Vc 1.005 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Metopon. ethyl eburnamenine-14-carboxylate. Retroisosensine. Retroisosenine. Methysergide. Heptafluorobutyryl-codeine. 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. Ergocristine.

Find more compounds similar to N-beta-hydroxyethyl-n,n'-bis-(4-(6-methyl)-1,3,3a,7-tetrazaindenyl)ethylenediamine.

Sources

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