propanebis(imidamide) dihydrochloride

• ChemBase ID: 235687
• Molecular Formular: C3H10Cl2N4
• Molecular Mass: 173.0443
• Monoisotopic Mass: 172.0282517
• SMILES: C(C(=N)N)C(=N)N.Cl.Cl
• Canonical SMILES: NC(=N)CC(=N)N.Cl.Cl
• InChI: InChI=1S/C3H8N4.2ClH/c4-2(5)1-3(6)7;;/h1H2,(H3,4,5)(H3,6,7);2*1H
• InChIKey: CXUPIOJZEUCFBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propanebis(imidamide) dihydrochloride
• IUPAC Traditional name: propanebis(imidamide) dihydrochloride
• Synonyms: propanebis(imidamide) dihydrochloride

Database IDs

• MDL Number: MFCD00226873
• PubChem SID: 164291597
• PubChem CID: 12341520

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -6.635273
• LogD (pH = 7.4): -6.5634403
• Log P: -1.8053461
• Molar Refractivity: 47.8204 cm^3
• Polarizability: 10.012139 Å^3
• Polar Surface Area: 99.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 299 - 301°C
• Hydrophobicity(logP): -2.327

Product Information

• Purity: 95%