N-(2-aminoethyl)-4-methylpyridin-2-amine

• ChemBase ID: 307648
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n1c(NCCN)cc(cc1)C
• Canonical SMILES: Cc1cc(NCCN)ncc1
• InChI: InChI=1S/C8H13N3/c1-7-2-4-10-8(6-7)11-5-3-9/h2,4,6H,3,5,9H2,1H3,(H,10,11)
• InChIKey: POLFZJFTWICAOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-4-methylpyridin-2-amine
• IUPAC Traditional name: N-(2-aminoethyl)-4-methylpyridin-2-amine
• Synonyms: N-(4-methylpyridin-2-yl)ethane-1,2-diamine

Database IDs

• CAS Number: 526184-60-1
• MDL Number: MFCD09864376

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.9456007
• LogD (pH = 7.4): -1.6287211
• Log P: 0.5392466
• Molar Refractivity: 47.3994 cm^3
• Polarizability: 17.54511 Å^3
• Polar Surface Area: 50.94 Å^2