Chemical Properties of 2-Amino-3-benzyl-5-(4-methoxyphenyl)pyrazine-1-oxide (CAS 123437-73-0)

2-Amino-3-benzyl-5-(4-methoxyphenyl)pyrazine-1-oxide

InChI
InChI=1S/C18H17N3O2/c1-23-15-9-7-14(8-10-15)17-12-21(22)18(19)16(20-17)11-13-5-3-2-4-6-13/h2-10,12H,11,19H2,1H3
InChI Key
HWHMEJZWCZUMTH-UHFFFAOYSA-N
Formula
C18H17N3O2
SMILES
COc1ccc(-c2c[n+]([O-])c(N)c(Cc3ccccc3)n2)cc1
Molecular Weight1
307.35
CAS
123437-73-0
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Physical Properties

Property Value Unit Source
ω 0.7565 Relay (1.0) Calculated Property
ΔfG° 424.42 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 241.79 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 126.86 kJ/mol Relay (1.0) Calculated Property
IE 7.59 eV Relay (1.0) Calculated Property
log10WS -3.86 Relay (1.0) Calculated Property
logPoct/wat 2.564 Crippen Calculated Property
McVol 234.880 ml/mol McGowan Calculated Property
Pc 2184.86 kPa Relay (1.0-beta) Calculated Property
Tboil 711.44 K Relay (1.0) Calculated Property
Tc 1022.06 K Relay (1.0) Calculated Property
Tfus 469.44 K Relay (1.0) Calculated Property
Vc 0.825 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. Senecionine, 12-acetyl. Moexipril Me. (E)-Eruciflorine. Acetylgynuramine. Moexipril desethyl 3Me (Moexprilate 3Me). Eruciflorine. 21-Hydroxyintergerrimine. (Z)-Cnidimine. (E)-Cnidimine. Edulisin III. Rescinnamine. 6-acetyl-3-propionyl-morphine. 3-propionyl-morphine. Brucine.

Find more compounds similar to 2-Amino-3-benzyl-5-(4-methoxyphenyl)pyrazine-1-oxide.

Sources

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