Product NameProcaine hydrochloride
CAS51-05-8
Molecular FormulaC13H21ClN2O2
Molecular Weight272.77
InChIInChI=1S/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H
InChIKey HCBIBCJNVBAKAB-UHFFFAOYSA-N
SmilesC1(=CC=C(N)C=C1)C(=O)OCCN(CC)CC.Cl
Mass
MS-NW-8299 2-(diethylamino)ethyl p-aminobenzoate hydrochloride C13H20N2O2 HCl (Mass of molecular ion: 236)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 3.4 27.0 1.0 28.0 2.7 29.0 3.0 30.0 7.8 36.0 8.2 38.0 2.7 39.0 1.1 42.0 2.8 44.0 1.7 56.0 3.6 57.0 1.0 58.0 8.4 65.0 4.4 70.0 1.9 71.0 5.3 72.0 1.2 84.0 3.3 86.0 100.0 87.0 6.0 92.0 4.8 99.0 29.4 100.0 2.6 110.5 1.0 120.0 13.2 121.0 1.1 137.0 1.0 164.0 2.9
90 MHz in D2O
1H NMR | 89.56 MHz |
C13 H20 N2 O2 | 0.037 g : 0.5 ml D2O |
2-(diethylamino)ethyl p-aminobenzoate hydrochloride |
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Assign. Shift(ppm) |
Hz ppm Int.
696.50 7.777 350 616.06 6.879 340 607.31 6.782 291 415.75 4.643 169 411.00 4.590 151 405.94 4.533 163 304.31 3.398 444 297.06 3.317 489 129.63 1.448 497 122.38 1.367 1000 115.13 1.286 428
KBr disc
nujol mull
Procaine hydrochloride(51-05-8) 1H NMR Atlas of Related Products
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