3,4-dihydroisoquinolin-7-amine

• ChemBase ID: 806482
• Molecular Formular: C9H10N2
• Molecular Mass: 146.1891
• Monoisotopic Mass: 146.08439833
• SMILES: c1(cc2c(cc1)CCN=C2)N
• Canonical SMILES: Nc1ccc2c(c1)C=NCC2
• InChI: InChI=1S/C9H10N2/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5-6H,3-4,10H2
• InChIKey: ICDBZRYXNCPKRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dihydroisoquinolin-7-amine
• IUPAC Traditional name: 3,4-dihydroisoquinolin-7-amine
• Synonyms: 3,4-DIHYDROISOQUINOLIN-7-AMINE

Database IDs

• CAS Number: 62541-60-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2807941
• LogD (pH = 7.4): -2.169783
• Log P: 1.1330483
• Molar Refractivity: 47.6058 cm^3
• Polarizability: 16.908525 Å^3
• Polar Surface Area: 38.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%