2-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-amine

• ChemBase ID: 306701
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: N1(c2c(CCC1)cccc2)CCN
• Canonical SMILES: NCCN1CCCc2c1cccc2
• InChI: InChI=1S/C11H16N2/c12-7-9-13-8-3-5-10-4-1-2-6-11(10)13/h1-2,4,6H,3,5,7-9,12H2
• InChIKey: ALWARSIRJIEZMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
• Synonyms: 2-(3,4-dihydroquinolin-1(2H)-yl)ethanamine; 2-(3,4-DIHYDRO-2H-QUINOLIN-1-YL)-ETHYLAMINE

Database IDs

• CAS Number: 37481-18-8
• MDL Number: MFCD06738984

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2299265
• LogD (pH = 7.4): -0.38171026
• Log P: 1.7687631
• Molar Refractivity: 56.347 cm^3
• Polarizability: 21.423769 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%