Agmatine sulfate

C₅H₁₆N₄O₄SCAS 2482-00-0228.27 g/mol

Open in Covalent MOL file

Guanidine Primary 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 Å²
H-bond donors / acceptors: 6 / 4
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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