Ethyl 3-aminopropanoate hydrochloride(4244-84-2) Raman
Product NameEthyl 3-aminopropanoate hydrochloride
CAS4244-84-2
Molecular FormulaC5H12ClNO2
Molecular Weight153.61
InChIInChI=1S/C5H11NO2.ClH/c1-2-8-5(7)3-4-6;/h2-4,6H2,1H3;1H
InChIKey RJCGNNHKSNIUAT-UHFFFAOYSA-N
SmilesC(=O)(OCC)CCN.Cl
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MassMS-IW-6984 beta-alanine ethyl ester hydrochloride C5H11NO2 HCl (Mass of molecular ion: 117)
Source Temperature: 150 °C Sample Temperature: 160 °C Direct, 75 eV
14.0 1.7 15.0 3.9 17.0 2.4 18.0 12.1 26.0 5.5 27.0 15.3 28.0 22.4 29.0 20.6 30.0 100.0 31.0 7.6 35.0 6.3 36.0 79.7 37.0 2.1 38.0 32.9 40.0 1.3 41.0 3.6 42.0 18.7 43.0 54.2 44.0 16.9 45.0 7.3 46.0 4.3 55.0 5.9 56.0 1.1 57.0 2.1 60.0 27.4 61.0 5.5 70.0 28.7 71.0 2.2 72.0 44.6 73.0 4.2 74.0 6.0 75.0 1.7 88.0 10.4 89.0 2.0 102.0 2.3 116.0 1.6 117.0 31.2 118.0 6.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H11 N O2 0.040 g : 0.5 ml CDCl3 beta-alanine ethyl ester hydrochloride 
Assign. Shift(ppm)
A 8.15 B 4.178 C 3.378 D 2.934 E 1.268
Hz ppm Int.3255.62 8.147 114 1680.42 4.205 141 1673.34 4.188 434 1666.14 4.169 439 1659.06 4.152 146 1358.76 3.400 55 1358.40 3.399 55 1352.91 3.386 107 1347.17 3.371 110 1341.31 3.357 60 1179.20 2.951 189 1172.49 2.934 372 1165.41 2.917 163 514.16 1.287 517 506.96 1.269 1000 499.88 1.251 501
in CDCl3
KBr disc
nujol mull
