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

• ChemBase ID: 239284
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1c(CCCN)cccc1
• Canonical SMILES: NCCCc1ccccn1
• InChI: InChI=1S/C8H12N2/c9-6-3-5-8-4-1-2-7-10-8/h1-2,4,7H,3,5-6,9H2
• InChIKey: UGYRJDSEKCYZKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyridin-2-yl)propan-1-amine
• IUPAC Traditional name: 氨丙嗪
• Synonyms: 3-(pyridin-2-yl)propan-1-amine; (3-pyridin-2-ylpropyl)amine

Database IDs

• CAS Number: 15583-16-1
• MDL Number: MFCD06809629
• PubChem SID: 164295194
• PubChem CID: 3159614

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5452707
• LogD (pH = 7.4): -2.0080273
• Log P: 0.48848766
• Molar Refractivity: 41.3067 cm^3
• Polarizability: 16.42113 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.315

Product Information

• Purity: 95%