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

• ChemBase ID: 34718
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n1c(CCN)cccc1
• Canonical SMILES: NCCc1ccccn1
• InChI: InChI=1S/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2
• InChIKey: XPQIPUZPSLAZDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-pyridylethylamine
• Synonyms: 2-Pyridin-2-ylethanamine; 2-Pyridineethylamine; 2-(2-Pyridyl)ethylamine; 2-(2-Aminoethyl)pyridine; 2-(2-Aminoethyl)pyridine; 2-(2-Pyridyl)ethylamine; 2-(2-Pyridyl)ethanamine; 2-Pyridylethylamine; (2-pyridin-2-ylethyl)amine; 2-(pyridin-2-yl)ethanamine; 2-(Pyridin-2-yl)ethylamine; 2-(2-Aminoethyl)pyridine; 2-(pyridin-2-yl)ethan-1-amine; 2-(2-氨基乙基)吡啶; 2-(2-氨乙基)吡啶; 2-(2-吡啶基)乙胺

Database IDs

• CAS Number: 2706-56-1
• EC Number: 220-295-1
• MDL Number: MFCD00006367
• Beilstein Number: 111208
• PubChem SID: 160998025; 24890987
• PubChem CID: 75919
• CHEBI ID: 147599
• CHEMBL: 32813
• Chemspider ID: 68424
• IUPHAR ligand ID: 1197
• MeSH Name: 2-(2-Aminoethyl)pyridine
• Wikipedia Title: 2-Pyridylethylamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.809431
• LogD (pH = 7.4): -1.9424553
• Log P: 0.19982645
• Molar Refractivity: 36.5517 cm^3
• Polarizability: 14.57431 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: colorless to light yellow liquid
• Melting Point: 41 - 50°C
• Boiling Point: 208 °C; 208°C; 208°C; 92.85°C (366K) (at 1.6 kPa); 92-93 °C/12 mmHg(lit.); 92-94/12°C
• Flash Point: 100 °C (212°F); 100 °C; 100°C; 100°C(212°F); 212 °F
• Density: 1.020; 1.021 g cm^-3; 1.021 g/mL at 25 °C; 1.021 g/mL at 25 °C(lit.); 1.027; 1.20
• Refractive Index: 1.536; 1.5360; n20/D 1.536; n20/D 1.536(lit.)
• Partition Coefficient: -0.11
• Hydrophobicity(logP): -0.064

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Air Sensitive; AIR SENSITIVE, CORROSIVE; Irritant
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: II; III
• Risk Statements: 34; 36/37/38; R:36/37/38; R36/37/38
• Safety Statements: 26-36; 26-36/37/39-45; S:26/36; S26, S36
• TSCA Listed: false; 是
• GHS Pictograms: GHS exclamation mark; GHS05; GHS07
• GHS Signal Word: WARNING; Warning
• NFPA704:
  

  1

  1

  0
• GHS Hazard statements: 315, 319, 335; H314-H318; H315-H319-H335
• GHS Precautionary statements: 261, 305+351+338; P261-P305 + P351 + P338; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Pharmacology Properties

• Gene Information: human ... HRH1(3269)

Product Information

• Purity: ≥95% (GC); 95%; 95+%; 98%; 99%
• Grade: technical
• Empirical Formula (Hill Notation): C7H10N2

DETAILS

MP Biomedicals - 05209369

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A55306

Packaging
1, 10, 50 g in glass bottle