2-(pyridin-4-yl)propan-1-amine

• ChemBase ID: 235013
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1ccc(C(CN)C)cc1
• Canonical SMILES: NCC(c1ccncc1)C
• InChI: InChI=1S/C8H12N2/c1-7(6-9)8-2-4-10-5-3-8/h2-5,7H,6,9H2,1H3
• InChIKey: PFSHXDJWAVNKNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-4-yl)propan-1-amine
• IUPAC Traditional name: 2-(pyridin-4-yl)propan-1-amine
• Synonyms: 2-(pyridin-4-yl)propan-1-amine

Database IDs

• MDL Number: MFCD06637478
• PubChem SID: 164290923
• PubChem CID: 43316814

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7034643
• LogD (pH = 7.4): -1.7454551
• Log P: 0.5349758
• Molar Refractivity: 41.6011 cm^3
• Polarizability: 16.417803 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.335

Product Information

• Purity: 95%