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

• ChemBase ID: 14687
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n1c(C(N)C)cccc1
• Canonical SMILES: CC(c1ccccn1)N
• InChI: InChI=1S/C7H10N2/c1-6(8)7-4-2-3-5-9-7/h2-6H,8H2,1H3
• InChIKey: PDNHLCRMUIGNBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(pyridin-2-yl)ethanamine
• Synonyms: alpha-Methyl-2-pyridinemethylamine; 1-(2-Pyridyl)ethylamine; 1-Pyridin-2-ylethanamine; 1-Pyridin-2-yl-ethylamine; 1-(Pyridin-2-yl)ethylamine; 2-(1-Aminoethyl)pyridine; (1-pyridin-2-ylethyl)amine; 1-(Pyridin-2-yl)ethanaMine; 1-(2-吡啶)乙胺

Database IDs

• CAS Number: 40154-81-2; 42088-91-5
• MDL Number: MFCD05215238
• PubChem SID: 160977994
• PubChem CID: 541877

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3010938
• LogD (pH = 7.4): -0.8411685
• Log P: 0.53157794
• Molar Refractivity: 36.3462 cm^3
• Polarizability: 14.650816 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178 - 180°C
• Partition Coefficient: 0.353
• Hydrophobicity(logP): -0.094

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Store under inert gas; 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: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95%; 95+%; 96%; 97%; 98%