2-(pyridin-3-yl)ethan-1-amine

• ChemBase ID: 34734
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n1cc(CCN)ccc1
• Canonical SMILES: NCCc1cccnc1
• InChI: InChI=1S/C7H10N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4,8H2
• InChIKey: NAHHNSMHYCLMON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 3-pyridine ethanamine
• Synonyms: 2-Pyridin-3-ylethanamine; 2-(3-pyridinyl)ethanamine; 3-Pyridineethylamine; 2-(3-Pyridyl)ethylamine; 3-(2-Aminoethyl)pyridine; 3-(2-AMINOETHYL)PYRIDINE; 3-(2-氨基乙基)吡啶

Database IDs

• CAS Number: 20173-24-4
• MDL Number: MFCD00191604
• Beilstein Number: 111288
• PubChem SID: 160998041
• PubChem CID: 854051

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.842649
• LogD (pH = 7.4): -2.059578
• Log P: 0.17000303
• Molar Refractivity: 37.1295 cm^3
• Polarizability: 14.573734 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 119-120°C/19mm
• Refractive Index: 1.5518
• Hydrophobicity(logP): -0.064

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: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 95%; 98%