4-(2-methoxyethyl)piperazine-1-carboximidamide hydrochloride

• ChemBase ID: 62469
• Molecular Formular: C8H19ClN4O
• Molecular Mass: 222.71566
• Monoisotopic Mass: 222.12473893
• SMILES: C(=N)(N1CCN(CC1)CCOC)N.Cl
• Canonical SMILES: COCCN1CCN(CC1)C(=N)N.Cl
• InChI: InChI=1S/C8H18N4O.ClH/c1-13-7-6-11-2-4-12(5-3-11)8(9)10;/h2-7H2,1H3,(H3,9,10);1H
• InChIKey: NWTYBCWAWUAWEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyethyl)piperazine-1-carboximidamide hydrochloride
• IUPAC Traditional name: 4-(2-methoxyethyl)piperazine-1-carboximidamide hydrochloride
• Synonyms: 4-(2-Methoxy-ethyl)-piperazine-1-carboxamidine hydrochloride

Database IDs

• MDL Number: MFCD21605987
• PubChem SID: 162028208
• PubChem CID: 71298732

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.387736
• LogD (pH = 7.4): -3.3667233
• Log P: -0.8971095
• Molar Refractivity: 63.0217 cm^3
• Polarizability: 19.967813 Å^3
• Polar Surface Area: 65.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false