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

• ChemBase ID: 118544
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1ccc(CC(N)C)cc1
• Canonical SMILES: CC(Cc1ccncc1)N
• InChI: InChI=1S/C8H12N2/c1-7(9)6-8-2-4-10-5-3-8/h2-5,7H,6,9H2,1H3
• InChIKey: SCMJZBZLSWJQJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-4-yl)propan-2-amine
• IUPAC Traditional name: 1-(pyridin-4-yl)propan-2-amine
• Synonyms: 1-Methyl-2-pyridin-4-yl-ethylamine; (1-methyl-2-pyridin-4-ylethyl)amine; 1-(pyridin-4-yl)propan-2-amine

Database IDs

• CAS Number: 801173-51-3
• MDL Number: MFCD06739073
• PubChem SID: 162102777
• PubChem CID: 16494786

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6848488
• LogD (pH = 7.4): -1.8565553
• Log P: 0.5865781
• Molar Refractivity: 41.5483 cm^3
• Polarizability: 16.418413 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.48
• Hydrophobicity(logP): 0.245

Product Information

• Purity: 95%; 95+%; 98%