1-(pyridin-2-yl)propan-1-amine

• ChemBase ID: 307924
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1c(C(N)CC)cccc1
• Canonical SMILES: CCC(c1ccccn1)N
• InChI: InChI=1S/C8H12N2/c1-2-7(9)8-5-3-4-6-10-8/h3-7H,2,9H2,1H3
• InChIKey: ARIBPNACTHQUIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-yl)propan-1-amine
• IUPAC Traditional name: 1-(pyridin-2-yl)propan-1-amine
• Synonyms: (1-pyridin-2-ylpropyl)amine

Database IDs

• CAS Number: 100155-73-5
• MDL Number: MFCD09802324

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7995725
• LogD (pH = 7.4): -0.37422568
• Log P: 1.0541004
• Molar Refractivity: 40.8702 cm^3
• Polarizability: 16.497204 Å^3
• Polar Surface Area: 38.91 Å^2