Chemical Properties of Morclofone (CAS 31848-01-8)

Morclofone

InChI
InChI=1S/C21H24ClNO5/c1-25-18-13-16(20(24)15-3-5-17(22)6-4-15)14-19(26-2)21(18)28-12-9-23-7-10-27-11-8-23/h3-6,13-14H,7-12H2,1-2H3
InChI Key
KVCJCEKJKGLBOK-UHFFFAOYSA-N
Formula
C21H24ClNO5
SMILES
COc1cc(C(=O)c2ccc(Cl)cc2)cc(OC)c1OCCN1CCOCC1
Molecular Weight1
405.87
CAS
31848-01-8
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Physical Properties

Property Value Unit Source
ω 0.9578 Relay (1.0) Calculated Property
ΔfG° -140.73 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -551.21 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 128.75 kJ/mol Relay (1.0) Calculated Property
IE 8.28 eV Relay (1.0) Calculated Property
log10WS -3.52 Relay (1.0) Calculated Property
logPoct/wat 3.299 Crippen Calculated Property
McVol 295.640 ml/mol McGowan Calculated Property
Pc 1098.77 kPa Relay (1.0-beta) Calculated Property
Inp 3101.00 NIST
Tboil 739.32 K Relay (1.0) Calculated Property
Tc 988.59 K Relay (1.0) Calculated Property
Tfus 378.80 K Relay (1.0) Calculated Property
Vc 1.066 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

1-Methyl-3-(beta-morpholinoethyl)-3-phenyloxindole. Silane, (1,1-dimethylethyl)dimethyl[(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-yl)oxy]-, (6aR-trans)-. 6-Tetrahydrocannabinol, TMS. Clomipramine M(HO), acetylated, isomer # 2. Butylone M (dihydro), 2Ac. Norhydrocodone. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. 7-acetyl-9-curassavoylheliotridine. «delta»1-tetrahydrocannabinolic acid, TMS. 7-propionylintermedine. 7-acetyllycopsamine. acetyllycopsamine. 7-O-Acetylechinatine. Pycnanthine. 7-acetylintermedine.

Find more compounds similar to Morclofone.

Sources

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