1,4-Diguanidinobutane sulfate

C₆H₁₈N₆O₄SCAS 14923-17-2270.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₈N₆O₄S
Molar mass: 270.31 g/mol
Exact mass: 270.1110 Da
Melting point: 244–246 °C
logP: -1.92Crippen estimate
Polar surface area: 198.4 Å²
H-bond donors / acceptors: 8 / 4
Rotatable bonds: 5

Identifiers

CAS number

14923-17-2

SMILES

N=C(N)NCCCCNC(=N)N.O=S(=O)(O)O

InChIKey

RWTGFMPOODRXIM-UHFFFAOYSA-N

InChI

InChI=1S/C6H16N6.H2O4S/c7-5(8)11-3-1-2-4-12-6(9)10;1-5(2,3)4/h1-4H2,(H4,7,8,11)(H4,9,10,12);(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

4 names

Guanidine, N,N′′′-1,4-butanediylbis-, sulfate (1:1)
Guanidine, 1,1′-tetramethylenedi-, sulfate (1:1)
Arcaine sulfate
1-(4-Guanidinobutyl)guanidine sulfate

Work with 1,4-Diguanidinobutane sulfate

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

Agmatine sulfate2482-00-084 % similar Guanethidine monosulfate645-43-269 % similar Aminoguanidine sulfate1068-42-458 % similar Aminoguanidine hemisulfate996-19-058 % similar Diuretamidine sulfate591-01-558 % similar Iminoctadine13516-27-357 % similar Carbamidinium sulfate1184-68-552 % similar Guanidinium sulfate594-14-952 % similar

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

Elsewhere

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