[2-(piperazin-1-yl)ethyl]dipropylamine

• ChemBase ID: 91290
• Molecular Formular: C12H27N3
• Molecular Mass: 213.36288
• Monoisotopic Mass: 213.22049788
• SMILES: N1(CCNCC1)CCN(CCC)CCC
• Canonical SMILES: CCCN(CCN1CCNCC1)CCC
• InChI: InChI=1S/C12H27N3/c1-3-7-14(8-4-2)11-12-15-9-5-13-6-10-15/h13H,3-12H2,1-2H3
• InChIKey: NQRQMDMOABSDEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(piperazin-1-yl)ethyl]dipropylamine
• IUPAC Traditional name: [2-(piperazin-1-yl)ethyl]dipropylamine
• Synonyms: N,N-Di-n-propyl-1-piperazineethylamine; 1-(2-Di-n-propylaminoethyl)piperazine; 1-(2-Dipropylaminoethyl)piperazine 98%; 1-(2-二丙基氨乙基)哌嗪

Database IDs

• CAS Number: 496808-01-6
• MDL Number: MFCD00191215
• PubChem SID: 162077994
• PubChem CID: 2736329

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.154408
• LogD (pH = 7.4): -3.0733814
• Log P: 1.4315463
• Molar Refractivity: 67.3078 cm^3
• Polarizability: 26.71709 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 72-73°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%