Chemical Properties of 1,2-Benzenediol, 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]- (CAS 136-70-9)

1,2-Benzenediol, 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]-

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InChI
InChI=1S/C18H21NO5/c1-11(6-12-2-5-17-18(7-12)24-10-23-17)19-9-16(22)13-3-4-14(20)15(21)8-13/h2-5,7-8,11,16,19-22H,6,9-10H2,1H3
InChI Key
LUMAEVHDZXIGEP-UHFFFAOYSA-N
Formula
C18H21NO5
SMILES
CC(Cc1ccc2c(c1)OCO2)NCC(O)c1ccc(O)c(O)c1
Molecular Weight1
331.36
CAS
136-70-9
Other Names
  • Protokylol
  • 4-[2-[[2-(1,3-Benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]-1,2-benzenediol hydrochloride
  • Caytine
  • JB-251
  • Protokylol hydrochloride
  • Ventaire
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Physical Properties

Property Value Unit Source
Δf -159.09 kJ/mol Joback Calculated Property
Δfgas -599.53 kJ/mol Joback Calculated Property
Δfus 56.41 kJ/mol Joback Calculated Property
Δvap 119.15 kJ/mol Joback Calculated Property
log10WS -3.48 Crippen Calculated Property
logPoct/wat 2.081 Crippen Calculated Property
McVol 245.430 ml/mol McGowan Calculated Property
Pc 3265.31 kPa Joback Calculated Property
Tboil 1042.58 K Joback Calculated Property
Tc 1286.90 K Joback Calculated Property
Tfus 752.74 K Joback Calculated Property
Vc 0.801 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [834.77; 947.29] J/mol×K [1042.58; 1286.90] Show Hide
Cp,gas 834.77 J/mol×K 1042.58 Joback Calculated Property
Cp,gas 850.90 J/mol×K 1083.30 Joback Calculated Property
Cp,gas 867.74 J/mol×K 1124.02 Joback Calculated Property
Cp,gas 885.57 J/mol×K 1164.74 Joback Calculated Property
Cp,gas 904.60 J/mol×K 1205.46 Joback Calculated Property
Cp,gas 925.09 J/mol×K 1246.18 Joback Calculated Property
Cp,gas 947.29 J/mol×K 1286.90 Joback Calculated Property

Similar Compounds

[7-(Hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 1H-pyrrole-3-carboxylate. ethyl eburnamenine-14-carboxylate. Hydromorphone. Hydrocodone. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Acetyldihydrocodeine. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. Dihydromorphinone acetate. Methyldihydromorphine. Dihydromorphine. 2-Hydroxy-2-phenylethylamine, ferrocenylboronate. QUINIDINE, M(HO-), AC. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate].

Find more compounds similar to 1,2-Benzenediol, 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]-.

Sources

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