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

• ChemBase ID: 91288
• Molecular Formular: C10H23N3
• Molecular Mass: 185.30972
• Monoisotopic Mass: 185.18919775
• SMILES: N1(CCN(CC)CC)CCNCC1
• Canonical SMILES: CCN(CCN1CCNCC1)CC
• InChI: InChI=1S/C10H23N3/c1-3-12(4-2)9-10-13-7-5-11-6-8-13/h11H,3-10H2,1-2H3
• InChIKey: PVYBFVZRZWESQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl[2-(piperazin-1-yl)ethyl]amine
• IUPAC Traditional name: diethyl[2-(piperazin-1-yl)ethyl]amine
• Synonyms: 1-[2-(Diethylamino)ethyl]piperazine 97%

Database IDs

• CAS Number: 4038-92-0
• MDL Number: MFCD00167968
• PubChem SID: 162077992
• PubChem CID: 2736105

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

Physical Property

• Boiling Point: 84-86°C

Safety Information

• Storage Warning: Irritant