N-(2-aminoethyl)-3-methylpyridin-4-amine

• ChemBase ID: 307308
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1(c(NCCN)ccnc1)C
• Canonical SMILES: NCCNc1ccncc1C
• InChI: InChI=1S/C8H13N3/c1-7-6-10-4-2-8(7)11-5-3-9/h2,4,6H,3,5,9H2,1H3,(H,10,11)
• InChIKey: OKUXSALAQVZSJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-3-methylpyridin-4-amine
• IUPAC Traditional name: N-(2-aminoethyl)-3-methylpyridin-4-amine
• Synonyms: N-(3-methylpyridin-4-yl)ethane-1,2-diamine

Database IDs

• CAS Number: 915922-09-7
• MDL Number: MFCD08059935

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.0384974
• LogD (pH = 7.4): -3.1448274
• Log P: -0.055210903
• Molar Refractivity: 47.0859 cm^3
• Polarizability: 17.542439 Å^3
• Polar Surface Area: 50.94 Å^2