2-(4-ethylpiperazin-1-yl)pyridine-4-carboximidamide dihydrochloride

• ChemBase ID: 264949
• Molecular Formular: C12H21Cl2N5
• Molecular Mass: 306.23464
• Monoisotopic Mass: 305.11740106
• SMILES: c1(N2CCN(CC2)CC)cc(C(=N)N)ccn1.Cl.Cl
• Canonical SMILES: CCN1CCN(CC1)c1nccc(c1)C(=N)N.Cl.Cl
• InChI: InChI=1S/C12H19N5.2ClH/c1-2-16-5-7-17(8-6-16)11-9-10(12(13)14)3-4-15-11;;/h3-4,9H,2,5-8H2,1H3,(H3,13,14);2*1H
• InChIKey: XDRIROKUALTYRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethylpiperazin-1-yl)pyridine-4-carboximidamide dihydrochloride
• IUPAC Traditional name: 2-(4-ethylpiperazin-1-yl)pyridine-4-carboximidamide dihydrochloride
• Synonyms: 2-(4-ethylpiperazin-1-yl)pyridine-4-carboximidamide dihydrochloride

Database IDs

• MDL Number: MFCD14705681
• PubChem SID: 164320859
• PubChem CID: 47002331

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.026563
• LogD (pH = 7.4): -2.2861307
• Log P: 0.5824708
• Molar Refractivity: 81.1144 cm^3
• Polarizability: 26.106342 Å^3
• Polar Surface Area: 69.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 294 - 296°C
• Hydrophobicity(logP): 0.768

Product Information

• Purity: 95%