Chemical Properties of Coumarin, 3-formyl-4-methyl-7-(N,N-diethyl amino)- (CAS 142730-48-1)

Coumarin, 3-formyl-4-methyl-7-(N,N-diethyl amino)-

InChI
InChI=1S/C15H17NO3/c1-4-16(5-2)11-6-7-12-10(3)13(9-17)15(18)19-14(12)8-11/h6-9H,4-5H2,1-3H3
InChI Key
ICAXYTLHINMBNG-UHFFFAOYSA-N
Formula
C15H17NO3
SMILES
CCN(CC)c1ccc2c(C)c(C=O)c(=O)oc2c1
Molecular Weight1
259.30
CAS
142730-48-1
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Physical Properties

Property Value Unit Source
ω 0.7236 Relay (1.0) Calculated Property
ΔfG° -55.68 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -358.39 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 97.74 kJ/mol Relay (1.0) Calculated Property
IE 7.64 eV NIST
log10WS -3.93 Relay (1.0) Calculated Property
logPoct/wat 2.760 Crippen Calculated Property
McVol 202.280 ml/mol McGowan Calculated Property
Pc 2075.18 kPa Relay (1.0-beta) Calculated Property
Tboil 652.68 K Relay (1.0) Calculated Property
Tc 913.13 K Relay (1.0) Calculated Property
Tfus 403.61 K Relay (1.0) Calculated Property
Vc 0.737 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2H-1-Benzopyran-2-one, 7-(diethylamino)-4-methyl-. Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)-. Aflatoxin G1. Aflatoxin B1. Aflatoxin G2. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Naloxone. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5«alpha»)-. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Oxymorphone, bis(trimethylsilyl) ether. Oxycodone, trimethylsilyl ether. Oxycodone. Ibogaine. Nalbuphine, O,O,O-tris(trimethylsilyl) deriv..

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Sources

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