diethyl[2-(piperazin-1-yl)ethyl]amine dihydrochloride

• ChemBase ID: 30505
• Molecular Formular: C10H25Cl2N3
• Molecular Mass: 258.2316
• Monoisotopic Mass: 257.14255318
• SMILES: N1(CCN(CC)CC)CCNCC1.Cl.Cl
• Canonical SMILES: CCN(CCN1CCNCC1)CC.Cl.Cl
• InChI: InChI=1S/C10H23N3.2ClH/c1-3-12(4-2)9-10-13-7-5-11-6-8-13;;/h11H,3-10H2,1-2H3;2*1H
• InChIKey: KKHCPKCGJNUJEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl[2-(piperazin-1-yl)ethyl]amine dihydrochloride
• IUPAC Traditional name: diethyl[2-(piperazin-1-yl)ethyl]amine dihydrochloride
• Synonyms: Diethyl-(2-piperazin-1-yl-ethyl)-amine dihydrochloride

Database IDs

• MDL Number: MFCD00039027
• PubChem SID: 160993812
• PubChem CID: 46736413

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.1299286
• LogD (pH = 7.4): -3.6558325
• Log P: 0.38650155
• Molar Refractivity: 58.2598 cm^3
• Polarizability: 23.024387 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false