2-(piperidin-1-yl)aniline

• ChemBase ID: 11219
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: N1(c2c(N)cccc2)CCCCC1
• Canonical SMILES: Nc1ccccc1N1CCCCC1
• InChI: InChI=1S/C11H16N2/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9,12H2
• InChIKey: OYECAJPUPWFCSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)aniline
• IUPAC Traditional name: 2-(piperidin-1-yl)aniline
• Synonyms: 2-Piperidinoaniline; N-(2-AMINOPHENYL)PIPERIDINE; 2-(piperidin-1-yl)aniline; 2-Piperidin-1-yl-phenylamine; 1-(2-Aminophenyl)piperidine; 2-(1-Piperidino)anilinedine; 2-(1-Piperidinyl)aniline; 2-(1-哌啶基)苯胺

Database IDs

• CAS Number: 39643-31-7
• EC Number: 000-000-0
• MDL Number: MFCD00047467
• Beilstein Number: 151856
• PubChem SID: 160974526
• PubChem CID: 458795

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9197046
• LogD (pH = 7.4): 2.0998716
• Log P: 2.1027298
• Molar Refractivity: 57.329 cm^3
• Polarizability: 21.105032 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44-47°C
• Boiling Point: 96-98°C/1mm

Safety Information

• Storage Warning: IRRITANT; Toxic
• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/38
• Safety Statements: 9-26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312-H315-H319
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%

DETAILS

MP Biomedicals - 05221309

MP Biomedicals Rare Chemical collection