1,2,3-triaminoguanidine hydrochloride

• ChemBase ID: 86217
• Molecular Formular: CH9ClN6
• Molecular Mass: 140.57536
• Monoisotopic Mass: 140.057722
• SMILES: N(=C(NN)NN)N.Cl
• Canonical SMILES: NNC(=NN)NN.Cl
• InChI: InChI=1S/CH8N6.ClH/c2-5-1(6-3)7-4;/h2-4H2,(H2,5,6,7);1H
• InChIKey: OJUDFURAIYFYBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3-triaminoguanidine hydrochloride
• IUPAC Traditional name: triaminoguanidine nitrate hydrochloride
• Synonyms: hydrazine-1-carbohydrazonohydrazide hydrochloride

Database IDs

• MDL Number: MFCD00154788
• PubChem SID: 162073333
• PubChem CID: 79235

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -4.4347405
• LogD (pH = 7.4): -4.1081543
• Log P: -1.9965994
• Molar Refractivity: 49.8818 cm^3
• Polarizability: 9.915395 Å^3
• Polar Surface Area: 114.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true