1,3-Diamino-2-propanol (616-29-5) MS
Product Name1,3-Diamino-2-propanol
CAS616-29-5
Molecular FormulaC3H10N2O
Molecular Weight90.12
InChIInChI=1S/C3H10N2O/c4-1-3(6)2-5/h3,6H,1-2,4-5H2
InChIKey UYBWIEGTWASWSR-UHFFFAOYSA-N
SmilesC(N)C(O)CN
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MassMS-NW-1528 1,3-diamino-2-propanol C3H10N2O (Mass of molecular ion: 90)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 5.3 17.0 1.4 18.0 21.4 27.0 1.4 28.0 12.9 29.0 2.6 30.0 100.0 31.0 3.5 32.0 1.2 41.0 2.1 42.0 18.4 43.0 5.6 44.0 6.7 45.0 2.5 55.0 1.5 56.0 4.8 59.0 1.5 60.0 31.5 61.0 3.8 71.0 10.3 72.0 8.0 73.0 2.0
90 MHz in D2O
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1H NMR 89.56 MHz C3 H10 N2 O 0.025 g : 0.5 ml D2O 1,3-diamino-2-propanol 
Assign. Shift(ppm)
A 3.571 B *1 2.677 C *1 2.580 SOLVENT PEAK REMOVED
Hz ppm Int.332.81 3.717 43 327.88 3.662 88 325.75 3.638 119 323.50 3.613 85 321.06 3.585 237 318.69 3.559 113 315.94 3.528 123 313.88 3.505 165 309.19 3.453 90 239.88 2.679 927 237.44 2.652 1000 235.13 2.626 830 230.25 2.571 719
KBr disc
liquid film
nujol mull
4880 A,200 M,powder
