N-(2-aminoethyl)-3-methylpyridin-2-amine

• ChemBase ID: 307643
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1(ncccc1C)NCCN
• Canonical SMILES: NCCNc1ncccc1C
• InChI: InChI=1S/C8H13N3/c1-7-3-2-5-10-8(7)11-6-4-9/h2-3,5H,4,6,9H2,1H3,(H,10,11)
• InChIKey: FOMZKRMMBHSXRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-3-methylpyridin-2-amine
• IUPAC Traditional name: N-(2-aminoethyl)-3-methylpyridin-2-amine
• Synonyms: N-(3-methylpyridin-2-yl)ethane-1,2-diamine

Database IDs

• CAS Number: 81528-65-6
• MDL Number: MFCD09802320

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.770009
• LogD (pH = 7.4): -1.6226524
• Log P: 0.5392466
• Molar Refractivity: 47.3994 cm^3
• Polarizability: 17.546747 Å^3
• Polar Surface Area: 50.94 Å^2