1-(1,4-dimethylpiperazin-2-yl)ethan-1-amine

• ChemBase ID: 278383
• Molecular Formular: C8H19N3
• Molecular Mass: 157.25656
• Monoisotopic Mass: 157.15789762
• SMILES: C1(N(CCN(C1)C)C)C(N)C
• Canonical SMILES: CN1CCN(C(C1)C(N)C)C
• InChI: InChI=1S/C8H19N3/c1-7(9)8-6-10(2)4-5-11(8)3/h7-8H,4-6,9H2,1-3H3
• InChIKey: DGHRACQMCWVBQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,4-dimethylpiperazin-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(1,4-dimethylpiperazin-2-yl)ethanamine
• Synonyms: 1-(1,4-dimethylpiperazin-2-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD19982562
• PubChem SID: 164334293
• PubChem CID: 20038810

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.1640563
• LogD (pH = 7.4): -2.765546
• Log P: -0.28335267
• Molar Refractivity: 48.077 cm^3
• Polarizability: 19.332188 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.092

Product Information

• Purity: 95%