chempirical

Agmatine sulfate

C5H16N4O4SCAS 2482-00-0228.27 g/mol

Open in Covalent MOL file
NHH2NNHNH2OSOHOOH
GuanidinePrimary amine

Properties

Molecular formula
C5H16N4O4S
Molar mass
228.27 g/mol
Exact mass
228.0892 Da
logP
-1.44Crippen estimate
Polar surface area
162.5 Ų
H-bond donors / acceptors
6 / 4
Rotatable bonds
4

Identifiers

CAS number
2482-00-0
SMILES
N=C(N)NCCCCN.O=S(=O)(O)O
InChIKey
PTAYFGHRDOMJGC-UHFFFAOYSA-N
InChI
InChI=1S/C5H14N4.H2O4S/c6-3-1-2-4-9-5(7)8;1-5(2,3)4/h1-4,6H2,(H4,7,8,9);(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-(4-aminobutyl)-, sulfate (1:1)
  • Guanidine, (4-aminobutyl)-, sulfate (1:1)
  • NIH 11035
  • 1-(4-Aminobutyl)guanidine sulfate

Work with Agmatine 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

1,4-Diguanidinobutane sulfate14923-17-284 % similar Guanethidine monosulfate645-43-260 % similar Aminoguanidine sulfate1068-42-450 % similar Diuretamidine sulfate591-01-550 % similar Aminoguanidine hemisulfate996-19-050 % similar Iminoctadine13516-27-349 % similar Polyaminopropyl biguanide133029-32-046 % similar Carbamidinium sulfate1184-68-544 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook