1,2,3,4-tetrahydroisoquinolin-7-amine

• ChemBase ID: 812329
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: c1(cc2c(cc1)CCNC2)N
• Canonical SMILES: Nc1ccc2c(c1)CNCC2
• InChI: InChI=1S/C9H12N2/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6,10H2
• InChIKey: VMEDBFRQSKKEEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydroisoquinolin-7-amine
• IUPAC Traditional name: 1,2,3,4-tetrahydroisoquinolin-7-amine
• Synonyms: 1,2,3,4-TETRAHYDROISOQUINOLIN-7-AMINE

Database IDs

• CAS Number: 153856-89-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.434755
• LogD (pH = 7.4): -1.244515
• Log P: 0.7425572
• Molar Refractivity: 47.316 cm^3
• Polarizability: 17.726313 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%