2-Amino-2-methyl-1,3-propanediol(115-69-5) IR2
Product Name2-Amino-2-methyl-1,3-propanediol
CAS115-69-5
Molecular FormulaC4H11NO2
Molecular Weight105.14
InChIInChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
InChIKey UXFQFBNBSPQBJW-UHFFFAOYSA-N
SmilesC(O)C(N)(C)CO
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MassMS-NW-4635 2-amino-2-methyl-1,3-propanediol C4H11NO2 (Mass of molecular ion: 105)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 4.2 17.0 1.1 18.0 19.6 27.0 5.4 28.0 22.7 29.0 16.3 30.0 9.0 31.0 7.3 39.0 2.9 40.0 1.3 41.0 5.9 42.0 12.6 43.0 2.4 44.0 4.1 56.0 45.0 57.0 11.1 58.0 1.7 59.0 2.0 60.0 2.0 70.0 1.2 72.0 1.7 73.0 1.0 74.0 100.0 75.0 3.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H11 N O2 0.040 g : 0.5 ml DMSO-d6 2-amino-2-methyl-1,3-propanediol 
Assign. Shift(ppm)
A *1 3.177 B *1 3.158 C 0.860
Hz ppm Int.1288.70 3.225 27 1287.60 3.222 28 1278.20 3.199 134 1267.94 3.173 595 1263.92 3.163 553 1253.66 3.137 110 343.87 0.861 1000
in DMSO-d6
KBr disc
nujol mull
