4-ethylpyridin-2-amine

• ChemBase ID: 79715
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n1c(cc(cc1)CC)N
• Canonical SMILES: CCc1ccnc(c1)N
• InChI: InChI=1S/C7H10N2/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3,(H2,8,9)
• InChIKey: SJWHILBZPGQBJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylpyridin-2-amine
• IUPAC Traditional name: 4-ethylpyridin-2-amine
• Synonyms: 4-ethylpyridin-2-amine; 4-Ethyl-2-pyridinamine; (4-Ethylpyridin-2-yl)amine; 2-Amino-4-ethylpyridine; 2-Amino-4-ethylpyridine; 2-氨基-4-乙基吡啶

Database IDs

• CAS Number: 33252-32-3
• EC Number: 251-430-2
• MDL Number: MFCD00129025
• PubChem SID: 162044478
• PubChem CID: 118425

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.0962753
• LogD (pH = 7.4): 1.1305081
• Log P: 1.479095
• Molar Refractivity: 38.5572 cm^3
• Polarizability: 14.176307 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Ethyl Acetate; Hexane; Methyl tert-Butyl Ether
• Apperance: Brown Crystalline Solid
• Melting Point: 45-52°C; 65-69°C
• Boiling Point: 100-103°C/4 mm

Safety Information

• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H311-H302-H332-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338-P309-P310

Product Information

• Purity: 97%

DETAILS

Toronto Research Chemicals - A609500

An analogue of pirlimycin, an antibiotic.

REFERENCES

• Kim, D., et al.: Bioorg. Med. Chem. Lett., 15, 2129 (2005)
• Crisman, T., et al.: J. Med. Chem., 51, 2481 (2005)