Chemical Properties of Benzoic acid, 2-{3-[2-(diethylamino)ethyl]-3-methyltriazeno}-, methyl ester (CAS 127909-49-3)

Benzoic acid, 2-{3-[2-(diethylamino)ethyl]-3-methyltriazeno}-, methyl ester

InChI
InChI=1S/C15H24N4O2/c1-5-19(6-2)12-11-18(3)17-16-14-10-8-7-9-13(14)15(20)21-4/h7-10H,5-6,11-12H2,1-4H3/b17-16+
InChI Key
XPOKLMOUTMGTBB-WUKNDPDISA-N
Formula
C15H24N4O2
SMILES
CCN(CC)CCN(C)N=Nc1ccccc1C(=O)OC
Molecular Weight1
292.38
CAS
127909-49-3
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Physical Properties

Property Value Unit Source
ω 0.8403 Relay (1.0) Calculated Property
ΔfG° 237.19 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -113.60 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 81.79 kJ/mol Relay (1.0) Calculated Property
IE 7.89 eV Relay (1.0) Calculated Property
log10WS -2.05 Relay (1.0) Calculated Property
logPoct/wat 2.745 Crippen Calculated Property
McVol 241.510 ml/mol McGowan Calculated Property
Pc 1523.50 kPa Joback Calculated Property
Tboil 616.92 K Relay (1.0) Calculated Property
Tc 816.52 K Relay (1.0) Calculated Property
Tfus 292.43 K Relay (1.0) Calculated Property
Vc 0.874 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Benzoic acid, 2-(3-cyclohexyl-3-methyltriazeno)-, methyl ester. Lysergol. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. 4',5'-Diiodofluorescein. 5-Methoxytryptophan, ethoxycarbonylated, TBDMS. 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone. Acetyldihydrocodeine. Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. Methyldihydromorphine. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Tazettine. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS. Hydrocodone. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate.

Find more compounds similar to Benzoic acid, 2-{3-[2-(diethylamino)ethyl]-3-methyltriazeno}-, methyl ester.

Sources

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