2-Amino-1,3-propanediol(534-03-2) IR2
Product Name2-Amino-1,3-propanediol
CAS534-03-2
Molecular FormulaC3H9NO2
Molecular Weight91.11
InChIInChI=1S/C3H9NO2/c4-3(1-5)2-6/h3,5-6H,1-2,4H2
InChIKey KJJPLEZQSCZCKE-UHFFFAOYSA-N
SmilesC(O)C(N)CO
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MassMS-IW-4865 2-amino-1,3-propanediol C3H9NO2 (Mass of molecular ion: 91)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 8.6 17.0 4.7 18.0 22.6 27.0 2.2 28.0 8.8 29.0 4.2 30.0 12.4 31.0 6.9 41.0 3.0 42.0 53.6 43.0 9.2 44.0 11.1 45.0 5.0 55.0 1.0 56.0 1.2 58.0 1.0 59.0 2.7 60.0 100.0 61.0 4.5 71.0 1.6 72.0 1.9 75.0 2.0 102.0 1.2 114.0 3.0 115.0 2.3 168.0 1.3 169.0 1.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C3 H9 N O2 0.040 g : 0.5 ml DMSO-d6 2-amino-1,3-propanediol 
Assign. Shift(ppm)
A *1 3.336 B *1 3.216 C 2.656
Hz ppm Int.1342.29 3.359 659 1336.91 3.346 704 1331.91 3.333 936 1326.54 3.320 940 1292.72 3.235 951 1286.50 3.220 1000 1282.23 3.209 661 1276.12 3.194 682 1072.75 2.685 100 1067.02 2.670 270 1061.28 2.656 368 1055.54 2.642 244 1049.68 2.627 82
in DMSO-d6
KBr disc
nujol mull
