2-(piperazine-1-carboximidoyl)guanidine trihydrochloride

• ChemBase ID: 242458
• Molecular Formular: C6H17Cl3N6
• Molecular Mass: 279.59838
• Monoisotopic Mass: 278.05802761
• SMILES: C(=N)(N=C(N)N)N1CCNCC1.Cl.Cl.Cl
• Canonical SMILES: N=C(N1CCNCC1)N=C(N)N.Cl.Cl.Cl
• InChI: InChI=1S/C6H14N6.3ClH/c7-5(8)11-6(9)12-3-1-10-2-4-12;;;/h10H,1-4H2,(H5,7,8,9,11);3*1H
• InChIKey: GKWFWTUOSWZEPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazine-1-carboximidoyl)guanidine trihydrochloride
• IUPAC Traditional name: 2-(piperazine-1-carboximidoyl)guanidine trihydrochloride
• Synonyms: 2-(piperazine-1-carboximidoyl)guanidine trihydrochloride

Database IDs

• MDL Number: MFCD22566049
• PubChem SID: 164298368
• PubChem CID: 71757024

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -7.685434
• LogD (pH = 7.4): -5.9771976
• Log P: -1.8940942
• Molar Refractivity: 57.1053 cm^3
• Polarizability: 17.473139 Å^3
• Polar Surface Area: 103.52 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.854

Product Information

• Purity: 95%