3-Methylamino-1,2-propanediol(40137-22-2) 13C NMR
Product Name3-Methylamino-1,2-propanediol
CAS40137-22-2
Molecular FormulaC4H11NO2
Molecular Weight105.14
InChIInChI=1S/C4H11NO2/c1-5-2-4(7)3-6/h4-7H,2-3H2,1H3
InChIKey WOMTYMDHLQTCHY-UHFFFAOYSA-N
SmilesC(O)C(O)CNC
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MassMS-IW-9462 3-methylamino-1,2-propanediol C4H11NO2 (Mass of molecular ion: 105)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 3.9 18.0 6.4 27.0 2.1 28.0 7.1 29.0 3.9 30.0 6.5 31.0 3.8 41.0 2.1 42.0 10.3 43.0 6.6 44.0 100.0 45.0 3.2 56.0 5.3 57.0 1.2 58.0 1.4 59.0 1.1 70.0 1.1 74.0 9.2 87.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H11 N O2 0.05 ml : 0.5 ml CDCl3 3-methylamino-1,2-propanediol 
Assign. Shift(ppm)
A 4.5 B 3.779 C *1 3.543 D *1 3.482 E *2 2.611 F *2 2.559 G 2.410
Hz ppm Int.1802.73 4.511 51 1510.62 3.780 85 1425.29 3.567 80 1421.14 3.556 83 1414.06 3.539 167 1409.91 3.528 142 1398.93 3.501 149 1392.46 3.485 141 1387.57 3.472 86 1381.23 3.457 73 1053.47 2.636 67 1049.68 2.627 80 1041.50 2.607 172 1037.72 2.597 146 1030.76 2.580 149 1022.58 2.559 141 1018.80 2.550 73 1010.62 2.529 67 963.38 2.411 1000 952.39 2.384 23
in CDCl3
liquid film
