2-propyl-1,2,3,4-tetrahydroquinoline

• ChemBase ID: 237270
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: N1c2c(CCC1CCC)cccc2
• Canonical SMILES: CCCC1CCc2c(N1)cccc2
• InChI: InChI=1S/C12H17N/c1-2-5-11-9-8-10-6-3-4-7-12(10)13-11/h3-4,6-7,11,13H,2,5,8-9H2,1H3
• InChIKey: RTQBHSJQNWVSGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-propyl-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 2-propyl-1,2,3,4-tetrahydroquinoline
• Synonyms: 2-propyl-1,2,3,4-tetrahydroquinoline

Database IDs

• MDL Number: MFCD21115152
• PubChem SID: 164293180
• PubChem CID: 10511462

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2139747
• LogD (pH = 7.4): 3.31273
• Log P: 3.3141472
• Molar Refractivity: 57.7062 cm^3
• Polarizability: 21.752699 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.762

Product Information

• Purity: 95%