1-(4-methylpiperazin-1-yl)propan-2-amine

• ChemBase ID: 271635
• Molecular Formular: C8H19N3
• Molecular Mass: 157.25656
• Monoisotopic Mass: 157.15789762
• SMILES: N1(CC(N)C)CCN(CC1)C
• Canonical SMILES: CC(CN1CCN(CC1)C)N
• InChI: InChI=1S/C8H19N3/c1-8(9)7-11-5-3-10(2)4-6-11/h8H,3-7,9H2,1-2H3
• InChIKey: MWCFQIQMAIQSCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylpiperazin-1-yl)propan-2-amine
• IUPAC Traditional name: 1-(4-methylpiperazin-1-yl)propan-2-amine
• Synonyms: 1-(4-methylpiperazin-1-yl)propan-2-amine

Database IDs

• MDL Number: MFCD09035158
• PubChem SID: 164327545
• PubChem CID: 16643482

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.8233886
• LogD (pH = 7.4): -3.2254703
• Log P: -0.34311974
• Molar Refractivity: 48.4068 cm^3
• Polarizability: 19.332188 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.951

Product Information

• Purity: 95%