2-(2-chloropyridin-3-yl)propan-2-amine

• ChemBase ID: 814904
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: CC(C)(N)c1c(nccc1)Cl
• Canonical SMILES: Clc1ncccc1C(N)(C)C
• InChI: InChI=1S/C8H11ClN2/c1-8(2,10)6-4-3-5-11-7(6)9/h3-5H,10H2,1-2H3
• InChIKey: XQYIJSZLSMTHFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloropyridin-3-yl)propan-2-amine
• IUPAC Traditional name: 2-(2-chloropyridin-3-yl)propan-2-amine
• Synonyms: 2-(2-chloropyridin-3-yl)propan-2-amine

Database IDs

• CAS Number: 1060812-09-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5715432
• LogD (pH = 7.4): -0.53668296
• Log P: 1.4027153
• Molar Refractivity: 47.2976 cm^3
• Polarizability: 18.40579 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%