4-methylpiperazin-1-amine dihydrochloride

• ChemBase ID: 100967
• Molecular Formular: C5H15Cl2N3
• Molecular Mass: 188.0987
• Monoisotopic Mass: 187.06430286
• SMILES: N1(CCN(CC1)C)N.Cl.Cl
• Canonical SMILES: CN1CCN(CC1)N.Cl.Cl
• InChI: InChI=1S/C5H13N3.2ClH/c1-7-2-4-8(6)5-3-7;;/h2-6H2,1H3;2*1H
• InChIKey: MIQKQAFRWSMHEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpiperazin-1-amine dihydrochloride
• IUPAC Traditional name: 4-methylpiperazin-1-amine dihydrochloride
• Synonyms: 4-methylpiperazinoamine dihydrochloride monohydrate

Database IDs

• CAS Number: 40675-60-3
• MDL Number: MFCD00167307
• PubChem SID: 162086701
• PubChem CID: 198221

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4877734
• LogD (pH = 7.4): -1.7231531
• Log P: -1.0209006
• Molar Refractivity: 35.2276 cm^3
• Polarizability: 13.592126 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%