1,2,3,4-tetrahydroisoquinolin-8-amine

• ChemBase ID: 244530
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: c12c(N)cccc1CCNC2
• Canonical SMILES: Nc1cccc2c1CNCC2
• InChI: InChI=1S/C9H12N2/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6,10H2
• InChIKey: GIIQUGGTGRRQEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydroisoquinolin-8-amine
• IUPAC Traditional name: 1,2,3,4-tetrahydroisoquinolin-8-amine
• Synonyms: 1,2,3,4-tetrahydroisoquinolin-8-amine

Database IDs

• CAS Number: 924633-49-8
• MDL Number: MFCD11223553
• PubChem SID: 164300440
• PubChem CID: 20523209

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3386369
• LogD (pH = 7.4): -0.94355357
• Log P: 0.7425572
• Molar Refractivity: 47.316 cm^3
• Polarizability: 17.727436 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.368

Product Information

• Purity: 95%; 95+%