chempirical

Polyaminopropyl biguanide

C5H14N6CAS 133029-32-0158.21 g/mol

Open in Covalent MOL file
NHH2NNHNHNHNH2
GuanidinePrimary amine

Properties

Molecular formula
C5H14N6
Molar mass
158.21 g/mol
Exact mass
158.1280 Da
logP
-1.66Crippen estimate
Polar surface area
123.8 Ų
H-bond donors / acceptors
6 / 3
Rotatable bonds
3

Identifiers

CAS number
133029-32-0
SMILES
N=C(N)NC(=N)NCCCN
InChIKey
XKFDVLUHBRJZQF-UHFFFAOYSA-N
InChI
InChI=1S/C5H14N6/c6-2-1-3-10-5(9)11-4(7)8/h1-3,6H2,(H6,7,8,9,10,11)

Weigh it out

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

Names and synonyms

4 names
  • Imidodicarbonimidic diamide, N-(3-aminopropyl)-, homopolymer
  • Polyamine-propyl-biguanidine
  • Acticide PHB 20
  • PG 2198

Work with Polyaminopropyl biguanide

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

Phenformin114-86-351 % similar Phenformin hydrochloride834-28-648 % similar Agmatine sulfate2482-00-046 % similar Guanidine, N,N′′′-1,6-hexanediylbis[N′-cyano-, polymer with 1,6-hexanediamine, hydrochloride27083-27-846 % similar Iminoctadine13516-27-342 % similar 1,6-Bis(cyanoguanidino)hexane15894-70-937 % similar Phenylbiguanide102-02-337 % similar Dodecylguanidine hydrochloride13590-97-137 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia