chempirical

Guanethidine monosulfate

C10H24N4O4SCAS 645-43-2296.39 g/mol

Open in Covalent MOL file
NHH2NHNNOSOHOOH
GuanidineTertiary amine

Properties

Molecular formula
C10H24N4O4S
Molar mass
296.39 g/mol
Exact mass
296.1518 Da
Melting point
276–281 °C
logP
0.08Crippen estimate
Polar surface area
139.7 Ų
H-bond donors / acceptors
5 / 4
Rotatable bonds
3

Identifiers

CAS number
645-43-2
SMILES
N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O
InChIKey
YUFWAVFNITUSHI-UHFFFAOYSA-N
InChI
InChI=1S/C10H22N4.H2O4S/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14;1-5(2,3)4/h1-9H2,(H4,11,12,13);(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

6 names
  • Guanidine, N-[2-(hexahydro-1(2H)-azocinyl)ethyl]-, sulfate (1:1)
  • Guanidine, [2-(hexahydro-1(2H)-azocinyl)ethyl]-, sulfate (1:1)
  • Azocine, guanidine deriv.
  • [2-(Hexahydro-1(2H)-azocinyl)ethyl]guanidine hydrogen sulfate
  • Guanethidine sulfate (1:1)
  • 1-(2-(Azocan-1-yl)ethyl)guanidine sulfate

Work with Guanethidine monosulfate

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

1,4-Diguanidinobutane sulfate14923-17-269 % similar Agmatine sulfate2482-00-060 % similar Aminoguanidine sulfate1068-42-447 % similar Aminoguanidine hemisulfate996-19-047 % similar Diuretamidine sulfate591-01-544 % similar Iminoctadine13516-27-342 % similar Carbamidinium sulfate1184-68-542 % similar Guanidinium sulfate594-14-942 % similar

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

Elsewhere

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