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

• ChemBase ID: 13530
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: c1(C(N)C)cnccc1
• Canonical SMILES: CC(c1cccnc1)N
• InChI: InChI=1S/C7H10N2/c1-6(8)7-3-2-4-9-5-7/h2-6H,8H2,1H3
• InChIKey: IQVQNBXPYJGNEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 1-(pyridin-3-yl)ethanamine
• Synonyms: 1-pyridin-3-ylethanamine; alpha-Methyl-3-pyridinemethylamine; 1-(3-Pyridyl)ethylamine; (1-pyridin-3-ylethyl)amine; 1-Pyridin-3-yl-ethylamine; 1-Pyridin-3-yl-ethylamine; 3-(1-Aminoethyl)pyridine; 1-(3-吡啶)乙胺

Database IDs

• CAS Number: 56129-55-6
• MDL Number: MFCD01691641
• PubChem SID: 160976837
• PubChem CID: 2771688

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6807284
• LogD (pH = 7.4): -1.6611396
• Log P: 0.29791686
• Molar Refractivity: 36.7933 cm^3
• Polarizability: 14.649884 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.094

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Toxic
• 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: false; 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%; 96%; 98%