4-methylpiperazine-1-carboximidamide

• ChemBase ID: 306607
• Molecular Formular: C6H14N4
• Molecular Mass: 142.20216
• Monoisotopic Mass: 142.12184647
• SMILES: C(=N)(N1CCN(CC1)C)N
• Canonical SMILES: CN1CCN(CC1)C(=N)N
• InChI: InChI=1S/C6H14N4/c1-9-2-4-10(5-3-9)6(7)8/h2-5H2,1H3,(H3,7,8)
• InChIKey: JJAQEBBJCVBCKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpiperazine-1-carboximidamide
• IUPAC Traditional name: 4-methylpiperazine-1-carboximidamide
• Synonyms: 4-methylpiperazine-1-carboximidamide

Database IDs

• CAS Number: 45798-01-4
• MDL Number: MFCD04116804

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.4385734
• LogD (pH = 7.4): -3.3349705
• Log P: -0.85013396
• Molar Refractivity: 51.9782 cm^3
• Polarizability: 15.581526 Å^3
• Polar Surface Area: 56.35 Å^2