5-(2-aminoethyl)pyridin-3-amine

• ChemBase ID: 815037
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1cc(cc(c1)CCN)N
• Canonical SMILES: NCCc1cncc(c1)N
• InChI: InChI=1S/C7H11N3/c8-2-1-6-3-7(9)5-10-4-6/h3-5H,1-2,8-9H2
• InChIKey: IBKPKYDYGZVLRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-aminoethyl)pyridin-3-amine
• IUPAC Traditional name: 5-(2-aminoethyl)pyridin-3-amine
• Synonyms: 5-(2-aminoethyl)pyridin-3-amine

Database IDs

• CAS Number: 1060804-38-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6982572
• LogD (pH = 7.4): -2.8983042
• Log P: -0.6589229
• Molar Refractivity: 41.8299 cm^3
• Polarizability: 15.701905 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%