propyl[2-(pyridin-2-yl)ethyl]amine

• ChemBase ID: 264469
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: n1c(CCNCCC)cccc1
• Canonical SMILES: CCCNCCc1ccccn1
• InChI: InChI=1S/C10H16N2/c1-2-7-11-9-6-10-5-3-4-8-12-10/h3-5,8,11H,2,6-7,9H2,1H3
• InChIKey: XPVKRNJOBDEBIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl[2-(pyridin-2-yl)ethyl]amine
• IUPAC Traditional name: propyl[2-(pyridin-2-yl)ethyl]amine
• Synonyms: propyl[2-(pyridin-2-yl)ethyl]amine; N-(2-Pyridin-2-ylethyl)propylamine; N-(n-Propyl)-2-pyridineethylamine; N-(n-Propyl)-2-(2-pyridyl)ethylamine; N-正丙基-2-吡啶乙胺

Database IDs

• CAS Number: 55496-57-6
• MDL Number: MFCD00023544
• PubChem SID: 164320379
• PubChem CID: 3016695

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7176973
• LogD (pH = 7.4): -0.9992828
• Log P: 1.5117372
• Molar Refractivity: 50.5989 cm^3
• Polarizability: 20.113455 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.14

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• 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: 95%; 97%