1,2,3,4-tetrahydroquinolin-4-amine hydrochloride

• ChemBase ID: 806804
• Molecular Formular: C9H13ClN2
• Molecular Mass: 184.66592
• Monoisotopic Mass: 184.07672611
• SMILES: Cl.NC1c2c(cccc2)NCC1
• Canonical SMILES: NC1CCNc2c1cccc2.Cl
• InChI: InChI=1S/C9H12N2.ClH/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-4,8,11H,5-6,10H2;1H
• InChIKey: UEDJXEUIDOWJJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydroquinolin-4-amine hydrochloride
• IUPAC Traditional name: 1,2,3,4-tetrahydroquinolin-4-amine hydrochloride
• Synonyms: 1,2,3,4-TETRAHYDRO-QUINOLIN-4-YLAMINE HCL

Database IDs

• CAS Number: 7578-79-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.447035
• LogD (pH = 7.4): -1.3607745
• Log P: 0.51999426
• Molar Refractivity: 47.2918 cm^3
• Polarizability: 17.807898 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%