3-ethylpyridin-4-amine hydrochloride

• ChemBase ID: 274611
• Molecular Formular: C7H11ClN2
• Molecular Mass: 158.62864
• Monoisotopic Mass: 158.06107604
• SMILES: c1(c(N)ccnc1)CC.Cl
• Canonical SMILES: CCc1cnccc1N.Cl
• InChI: InChI=1S/C7H10N2.ClH/c1-2-6-5-9-4-3-7(6)8;/h3-5H,2H2,1H3,(H2,8,9);1H
• InChIKey: CIBBDHZCSKSQEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethylpyridin-4-amine hydrochloride
• IUPAC Traditional name: 3-ethylpyridin-4-amine hydrochloride
• Synonyms: 3-ethylpyridin-4-amine hydrochloride

Database IDs

• MDL Number: MFCD18838909
• PubChem SID: 164330521
• PubChem CID: 54593280

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.10001212
• LogD (pH = 7.4): -0.05213644
• Log P: 0.8846375
• Molar Refractivity: 38.2437 cm^3
• Polarizability: 14.173647 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.611

Product Information

• Purity: 95%