1-[2-(pyrrolidin-1-yl)ethyl]piperazine

• ChemBase ID: 91277
• Molecular Formular: C10H21N3
• Molecular Mass: 183.29384
• Monoisotopic Mass: 183.17354769
• SMILES: N1(CCN2CCCC2)CCNCC1
• Canonical SMILES: N1CCN(CC1)CCN1CCCC1
• InChI: InChI=1S/C10H21N3/c1-2-6-12(5-1)9-10-13-7-3-11-4-8-13/h11H,1-10H2
• InChIKey: UXHZIFKPLFIPSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(pyrrolidin-1-yl)ethyl]piperazine
• IUPAC Traditional name: 1-[2-(pyrrolidin-1-yl)ethyl]piperazine
• Synonyms: 1-[2-(1-Pyrrolidino)ethyl]piperazine 97%; 1-[2-(1-Pyrrolidino)ethyl]piperazine; 1-[2-(1-Pyrrolidinyl)ethyl]piperazine; 1-(2-(pyrrolidin-1-yl)ethyl)piperazine; 1-(2-吡啶烷基乙基)哌嗪

Database IDs

• CAS Number: 22763-69-5
• MDL Number: MFCD01075190
• PubChem SID: 162077981
• PubChem CID: 2737250

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.4109254
• LogD (pH = 7.4): -3.852576
• Log P: 0.07868309
• Molar Refractivity: 56.3036 cm^3
• Polarizability: 22.286194 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 77-79°C; 77-79°C/0.5mm

Safety Information

• Storage Warning: Air Sensitive; Irritant
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%