DL-2,3-DIAMINOPROPIONIC ACID MONOHYDROCHLORIDE(54897-59-5) IR1
Product NameDL-2,3-DIAMINOPROPIONIC ACID MONOHYDROCHLORIDE
CAS54897-59-5
Molecular FormulaC3H9ClN2O2
Molecular Weight140.57
InChIInChI=1S/C3H8N2O2.ClH/c4-1-2(5)3(6)7;/h2H,1,4-5H2,(H,6,7);1H
InChIKey SKWCZPYWFRTSDD-UHFFFAOYSA-N
SmilesC(O)(=O)C(N)CN.[H]Cl
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MassMS-NW-5014 (+-)-2,3-diaminopropionic acid hydrochloride C3H8N2O2 HCl (Mass of molecular ion: 104)
Source Temperature: 200 °C Sample Temperature: 180 °C Direct, 75 eV
15.0 2.5 16.0 2.9 17.0 4.3 18.0 11.2 26.0 2.0 27.0 11.1 28.0 35.1 29.0 18.9 30.0 100.0 31.0 1.9 35.0 6.6 36.0 47.5 37.0 2.1 38.0 15.7 39.0 1.4 40.0 4.0 41.0 8.0 42.0 7.6 43.0 6.2 44.0 5.8 45.0 1.4 57.0 11.2 58.0 1.8 59.0 5.9 74.0 1.1 75.0 14.6
90 MHz in D2O
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1H NMR 89.56 MHz C3 H8 N2 O2 saturated in D2O (+-)-2,3-diaminopropionic acid hydrochloride 
Assign. Shift(ppm)
A 4.01 B 3.48 SOLVENT PEAK REMOVED
Hz ppm Int.368.56 4.116 183 361.25 4.034 380 354.44 3.958 316 314.31 3.510 1000 307.31 3.432 717
KBr disc
nujol mull
