6-ethylpyridin-3-amine

• ChemBase ID: 289336
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: Nc1ccc(CC)nc1
• Canonical SMILES: CCc1ccc(cn1)N
• InChI: InChI=1S/C7H10N2/c1-2-7-4-3-6(8)5-9-7/h3-5H,2,8H2,1H3
• InChIKey: ZKPKEODUAJQPCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethylpyridin-3-amine
• IUPAC Traditional name: 6-ethylpyridin-3-amine
• Synonyms: 6-Ethylpyridin-3-amine

Database IDs

• CAS Number: 126553-00-2
• MDL Number: MFCD11111131
• PubChem SID: 180674867
• PubChem CID: 13860729

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.117108054
• LogD (pH = 7.4): 0.7379918
• Log P: 0.75855345
• Molar Refractivity: 37.8199 cm^3
• Polarizability: 14.17788 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%