methyl[2-(4-methylpiperazin-1-yl)ethyl]amine

• ChemBase ID: 307411
• Molecular Formular: C8H19N3
• Molecular Mass: 157.25656
• Monoisotopic Mass: 157.15789762
• SMILES: N1(CCN(CC1)CCNC)C
• Canonical SMILES: CNCCN1CCN(CC1)C
• InChI: InChI=1S/C8H19N3/c1-9-3-4-11-7-5-10(2)6-8-11/h9H,3-8H2,1-2H3
• InChIKey: LZEBHQQBLHMJOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(4-methylpiperazin-1-yl)ethyl]amine
• IUPAC Traditional name: methyl[2-(4-methylpiperazin-1-yl)ethyl]amine
• Synonyms: N-methyl-2-(4-methylpiperazin-1-yl)ethanamine; METHYL-[2-(4-METHYL-PIPERAZIN-1-YL)-ETHYL]-AMINE

Database IDs

• CAS Number: 98545-15-4
• MDL Number: MFCD09864339

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.156344
• LogD (pH = 7.4): -3.6282635
• Log P: -0.32711437
• Molar Refractivity: 48.7626 cm^3
• Polarizability: 19.332188 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%