1,1-Dimethylguanidine sulfate(1186-46-5) MS
Product Name1,1-Dimethylguanidine sulfate
CAS1186-46-5
Molecular FormulaC3H11N3O4S
Molecular Weight185.2
InChIInChI=1S/2C3H9N3.H2O4S/c2*1-6(2)3(4)5;1-5(2,3)4/h2*1-2H3,(H3,4,5);(H2,1,2,3,4)
InChIKey QSCHFHVDZCPIKX-UHFFFAOYSA-N
SmilesS(O)(O)(=O)=O.C(=N)(N)N(C)C.C(=N)(N)N(C)C
-
MassMS-NW-6355 1,1-dimethylguanidine hydrochloride C3H9N3 HCl (Mass of molecular ion: 87)
Source Temperature: 200 °C Sample Temperature: 190 °C Direct, 75 eV
14.0 1.3 15.0 9.3 18.0 5.4 27.0 2.0 28.0 13.5 29.0 1.3 30.0 16.5 35.0 7.2 36.0 28.0 37.0 2.3 38.0 9.2 40.0 2.3 41.0 4.0 42.0 22.4 43.0 46.9 44.0 100.0 45.0 7.4 55.0 3.8 56.0 1.9 58.0 15.7 59.0 3.2 69.0 2.6 70.0 1.1 71.0 5.4 72.0 21.9 87.0 40.3 88.0 2.4
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C3 H9 N3 0.040 g : 0.5 ml DMSO-d6 1,1-dimethylguanidine hydrochloride 
Assign. Shift(ppm)
A 7.55 B 2.976
Hz ppm Int.3017.21 7.550 205 1189.70 2.977 1000 0.00 0.001 30
in D2O
in DMSO-d6
KBr disc
nujol mull
