5,6,7,8-tetrahydroquinolin-6-amine

• ChemBase ID: 265078
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: c12c(nccc2)CCC(C1)N
• Canonical SMILES: NC1CCc2c(C1)cccn2
• InChI: InChI=1S/C9H12N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-2,5,8H,3-4,6,10H2
• InChIKey: FHNCLWIIGMLHNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydroquinolin-6-amine
• IUPAC Traditional name: 5,6,7,8-tetrahydroquinolin-6-amine
• Synonyms: 5,6,7,8-tetrahydroquinolin-6-amine; 5,6,7,8-TETRAHYDRO-6-QUINOLINAMINE

Database IDs

• CAS Number: 477532-03-9
• MDL Number: MFCD10698015
• PubChem SID: 164320988
• PubChem CID: 9877412

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4522502
• LogD (pH = 7.4): -1.8439862
• Log P: 0.5881432
• Molar Refractivity: 44.2865 cm^3
• Polarizability: 17.447672 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.38

Product Information

• Purity: 95%; 98%