chempirical

N1,N1-Dimethylguanidine sulfate (2:1)

C3H11N3O4SCAS 598-65-2185.20 g/mol

Open in Covalent MOL file
NNHNH2OSOHOOH
Guanidine

Properties

Molecular formula
C3H11N3O4S
Molar mass
185.20 g/mol
Exact mass
185.0470 Da
logP
-1.21Crippen estimate
Polar surface area
127.7 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
0

Identifiers

CAS number
598-65-2
SMILES
CN(C)C(=N)N.O=S(=O)(O)O
InChIKey
ACPFLXJEPKOPGF-UHFFFAOYSA-N
InChI
InChI=1S/C3H9N3.H2O4S/c1-6(2)3(4)5;1-5(2,3)4/h1-2H3,(H3,4,5);(H2,1,2,3,4)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Guanidine, N,N-dimethyl-, sulfate (2:1)
  • Guanidine, 1,1-dimethyl-, sulfate (2:1)
  • N,N-Dimethylguanidinium sulfate (2:1)
  • N,N-Dimethylguanidine sulfate (2:1)
  • N,N-Dimethylguanidine hemisulfate

Work with N1,N1-Dimethylguanidine sulfate (2:1)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Creatinol sulfate50648-53-857 % similar Carbamidinium sulfate1184-68-550 % similar Guanidinium sulfate594-14-950 % similar O-Methylpseudourea sulfate29427-58-545 % similar O-Methylisourea hydrogen sulfate52328-05-945 % similar S-Methylisothiourea hemisulfate867-44-745 % similar Aminoguanidine sulfate1068-42-442 % similar Aminoguanidine hemisulfate996-19-042 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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