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

• ChemBase ID: 229910
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: c1(ncccc1)NC(C)C
• Canonical SMILES: CC(Nc1ccccn1)C
• InChI: InChI=1S/C8H12N2/c1-7(2)10-8-5-3-4-6-9-8/h3-7H,1-2H3,(H,9,10)
• InChIKey: JQPJCPJUEYREHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)pyridin-2-amine
• IUPAC Traditional name: N-isopropylpyridin-2-amine
• Synonyms: Isopropyl-pyridin-2-yl-amine

Database IDs

• CAS Number: 15513-18-5
• MDL Number: MFCD03651790
• PubChem SID: 164285820
• PubChem CID: 2366450

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.60326505
• LogD (pH = 7.4): 1.5328381
• Log P: 1.596192
• Molar Refractivity: 43.5758 cm^3
• Polarizability: 16.101528 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 41 - 43°C
• Hydrophobicity(logP): 1.954

Product Information

• Purity: 95%