6-chloro-1,2,3,4-tetrahydroquinolin-4-amine

• ChemBase ID: 276592
• Molecular Formular: C9H11ClN2
• Molecular Mass: 182.65004
• Monoisotopic Mass: 182.06107604
• SMILES: c12c(NCCC2N)ccc(c1)Cl
• Canonical SMILES: Clc1ccc2c(c1)C(N)CCN2
• InChI: InChI=1S/C9H11ClN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,12H,3-4,11H2
• InChIKey: OXOPPJOJMLUEHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-1,2,3,4-tetrahydroquinolin-4-amine
• IUPAC Traditional name: 6-chloro-1,2,3,4-tetrahydroquinolin-4-amine
• Synonyms: 6-chloro-1,2,3,4-tetrahydroquinolin-4-amine

Database IDs

• MDL Number: MFCD17010056
• PubChem SID: 164332502
• PubChem CID: 54594249

CALCULATED PROPERTIES

• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8200754
• LogD (pH = 7.4): -0.6319779
• Log P: 1.1240389
• Molar Refractivity: 52.0966 cm^3
• Polarizability: 19.63482 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.553

Product Information

• Purity: 95%