4-(4-ethylpiperazin-1-yl)butan-1-amine

• ChemBase ID: 257129
• Molecular Formular: C10H23N3
• Molecular Mass: 185.30972
• Monoisotopic Mass: 185.18919775
• SMILES: N1(CCN(CC1)CCCCN)CC
• Canonical SMILES: NCCCCN1CCN(CC1)CC
• InChI: InChI=1S/C10H23N3/c1-2-12-7-9-13(10-8-12)6-4-3-5-11/h2-11H2,1H3
• InChIKey: PZNAFVVVYJUKGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-ethylpiperazin-1-yl)butan-1-amine
• IUPAC Traditional name: 4-(4-ethylpiperazin-1-yl)butan-1-amine
• Synonyms: 4-(4-ethylpiperazin-1-yl)butan-1-amine

Database IDs

• MDL Number: MFCD06446887
• PubChem SID: 164313039
• PubChem CID: 7138418

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.097767
• LogD (pH = 7.4): -4.126708
• Log P: 0.1744356
• Molar Refractivity: 58.2466 cm^3
• Polarizability: 23.024387 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.533

Product Information

• Purity: 95%