4-methylpiperazine-1-carboximidamide; acetic acid

• ChemBase ID: 54254
• Molecular Formular: C8H18N4O2
• Molecular Mass: 202.25412
• Monoisotopic Mass: 202.14297584
• SMILES: C1N(CCN(C1)C(=N)N)C.CC(=O)O
• Canonical SMILES: CN1CCN(CC1)C(=N)N.CC(=O)O
• InChI: InChI=1S/C6H14N4.C2H4O2/c1-9-2-4-10(5-3-9)6(7)8;1-2(3)4/h2-5H2,1H3,(H3,7,8);1H3,(H,3,4)
• InChIKey: GYAOETCALVCGEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpiperazine-1-carboximidamide; acetic acid
• IUPAC Traditional name: 4-methylpiperazine-1-carboximidamide; acetic acid
• Synonyms: 4-Methylpiperazine-1-carboxamidinium acetate

Database IDs

• MDL Number: MFCD11052412
• PubChem SID: 162059017
• PubChem CID: 50998893

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
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%