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

• ChemBase ID: 278692
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1ccc(C(N)CC)cc1
• Canonical SMILES: CCC(c1ccncc1)N
• InChI: InChI=1S/C8H12N2/c1-2-8(9)7-3-5-10-6-4-7/h3-6,8H,2,9H2,1H3
• InChIKey: VGFZORUFTNLGLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 60289-68-1
• MDL Number: MFCD06637477
• PubChem SID: 164334602
• PubChem CID: 19063442

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1746962
• LogD (pH = 7.4): -1.2803901
• Log P: 0.8204392
• Molar Refractivity: 41.3173 cm^3
• Polarizability: 16.49598 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.435

Product Information

• Purity: 95%