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

• ChemBase ID: 307646
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1cc(NCCN)ccc1
• Canonical SMILES: NCCNc1cccnc1
• InChI: InChI=1S/C7H11N3/c8-3-5-10-7-2-1-4-9-6-7/h1-2,4,6,10H,3,5,8H2
• InChIKey: VPTHSIHGLIRODH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)pyridin-3-amine
• IUPAC Traditional name: N-(2-aminoethyl)pyridin-3-amine
• Synonyms: N-pyridin-3-ylethane-1,2-diamine

Database IDs

• CAS Number: 62491-92-3
• MDL Number: MFCD09864375

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.8455229
• LogD (pH = 7.4): -2.7314458
• Log P: -0.5686323
• Molar Refractivity: 42.0447 cm^3
• Polarizability: 15.780585 Å^3
• Polar Surface Area: 50.94 Å^2