2-(naphthalen-2-yl)piperazine

• ChemBase ID: 22354
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: N1C(CNCC1)c1cc2c(cc1)cccc2
• Canonical SMILES: C1CNC(CN1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C14H16N2/c1-2-4-12-9-13(6-5-11(12)3-1)14-10-15-7-8-16-14/h1-6,9,14-16H,7-8,10H2
• InChIKey: DNMNNHMPDTUAFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yl)piperazine
• IUPAC Traditional name: 2-(naphthalen-2-yl)piperazine
• Synonyms: 2-(2-Naphthyl)piperazine; 2-Naphthalen-2-yl-piperazine; 2-(Naphth-2-yl)piperazine; 2-(2-萘)哌嗪

Database IDs

• CAS Number: 904816-32-6
• MDL Number: MFCD05864679
• PubChem SID: 160985661
• PubChem CID: 2771839

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0855478
• LogD (pH = 7.4): 0.38435772
• Log P: 2.0449102
• Molar Refractivity: 66.1818 cm^3
• Polarizability: 27.677113 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99-104°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3259
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310

Product Information

• Purity: 95%; 95+%; 98%