chempirical

Guanidine, N,N′′′-1,6-hexanediylbis[N′-cyano-, polymer with 1,6-hexanediamine, hydrochloride

C16H35ClN10CAS 27083-27-8402.98 g/mol

Open in Covalent MOL file
HClNNHNHNHNHNHNHNH2NNH2
GuanidineNitrilePrimary amine

Properties

Molecular formula
C16H35ClN10
Molar mass
402.98 g/mol
Exact mass
402.2735 Da
logP
0.62Crippen estimate
Polar surface area
195.4 Ų
H-bond donors / acceptors
8 / 6
Rotatable bonds
12

Identifiers

CAS number
27083-27-8
SMILES
Cl.N#CNC(=N)NCCCCCCNC(=N)NC#N.NCCCCCCN
InChIKey
GGBZCCPSKRKGQB-UHFFFAOYSA-N
InChI
InChI=1S/C10H18N8.C6H16N2.ClH/c11-7-17-9(13)15-5-3-1-2-4-6-16-10(14)18-8-12;7-5-3-1-2-4-6-8;/h1-6H2,(H3,13,15,17)(H3,14,16,18);1-8H2;1H

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Names and synonyms

1 names
  • 1,6-Hexanediamine, polymer with N,N′′′-1,6-hexanediylbis[N′-cyanoguanidine], hydrochloride

Work with Guanidine, N,N′′′-1,6-hexanediylbis[N′-cyano-, polymer with 1,6-hexanediamine, hydrochloride

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

1,6-Bis(cyanoguanidino)hexane15894-70-971 % similar Guanidine hydrochloride-hexamethylenediamine copolymer57028-96-350 % similar Polyaminopropyl biguanide133029-32-046 % similar Spermidine trihydrochloride334-50-940 % similar Dodecylguanidine hydrochloride13590-97-139 % similar 1,5-Diaminopentane dihydrochloride1476-39-739 % similar Hexanediamine dihydrochloride6055-52-339 % similar Agmatine sulfate2482-00-038 % similar

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

Elsewhere

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