Chemical Properties of Acebutolol (CAS 37517-30-9)

Acebutolol

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InChI
InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)
InChI Key
GOEMGAFJFRBGGG-UHFFFAOYSA-N
Formula
C18H28N2O4
SMILES
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1
Molecular Weight1
336.43
CAS
37517-30-9
Other Names
  • (.+/-.)-3'-Acetyl-4'-[2-hydroxy-3-(1-methylethylamino)propoxy]butyranilide
  • (.+/-.)-3'-Acetyl-4'-[2-hydroxy-3-(isopropylamino)propoxy]butyranilide
  • (.+/-.)-Acebutolol
  • (.+/-.)-N-(3-Acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)butanamide
  • 1-(2-Acetyl-4-n-butyramidophenoxy)-2-hydroxy-3-isopropylaminopropane
  • 3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide
  • 5'-Butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenone
  • Butanamide, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-
  • Butanamide, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, (.+/-.)-
  • Monitan
  • Neptal
  • Prent
  • dl-Acebutolol
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Physical Properties

Property Value Unit Source
Δf -131.93 kJ/mol Joback Calculated Property
Δfgas -614.49 kJ/mol Joback Calculated Property
Δfus 47.26 kJ/mol Joback Calculated Property
Δvap 103.94 kJ/mol Joback Calculated Property
log10WS -2.71 Aq. Sol...
logPoct/wat 2.365 Crippen Calculated Property
McVol 275.560 ml/mol McGowan Calculated Property
Pc 1733.22 kPa Joback Calculated Property
Inp [2795.00; 2795.00]   Show Hide
Inp 2795.00 NIST
Inp 2795.00 NIST
Tboil 969.68 K Joback Calculated Property
Tc 1188.02 K Joback Calculated Property
Tfus 393.75 K Aq. Sol...
Vc 1.042 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [903.15; 960.30] J/mol×K [969.68; 1188.02] Show Hide
Cp,gas 903.15 J/mol×K 969.68 Joback Calculated Property
Cp,gas 915.38 J/mol×K 1006.07 Joback Calculated Property
Cp,gas 926.48 J/mol×K 1042.46 Joback Calculated Property
Cp,gas 936.48 J/mol×K 1078.85 Joback Calculated Property
Cp,gas 945.43 J/mol×K 1115.24 Joback Calculated Property
Cp,gas 953.35 J/mol×K 1151.63 Joback Calculated Property
Cp,gas 960.30 J/mol×K 1188.02 Joback Calculated Property

Similar Compounds

Lycoramine. Acebutolol, N-ethoxycarbonylated, TMS. Norhydrocodone. Mirtazapine-M (nor-HO-methoxy-) 2AC. Mirtazapine-M (nor-HO-) 2AC. N-Acetylnornarcotine. Mirtazapine-M (HO-) AC. N-Desmethylmirtazapine. Hydrocodone. Dihydromorphine. Oxycodone, trimethylsilyl ether. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Methyldihydromorphine. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Hydrastine.

Find more compounds similar to Acebutolol.

Sources

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