N-methylisoquinolin-5-amine hydrochloride

• ChemBase ID: 802921
• Molecular Formular: C10H11ClN2
• Molecular Mass: 194.66074
• Monoisotopic Mass: 194.06107604
• SMILES: Cl.N(C)c1c2c(ccc1)cncc2
• Canonical SMILES: CNc1cccc2c1ccnc2.Cl
• InChI: InChI=1S/C10H10N2.ClH/c1-11-10-4-2-3-8-7-12-6-5-9(8)10;/h2-7,11H,1H3;1H
• InChIKey: BEAPVHWIOKCVEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylisoquinolin-5-amine hydrochloride
• IUPAC Traditional name: N-methylisoquinolin-5-amine hydrochloride
• Synonyms: ISOQUINOLIN-5-YL-METHYLAMINE HYDROCHLORIDE

Database IDs

• CAS Number: 1001906-56-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.97526515
• LogD (pH = 7.4): 1.2134074
• Log P: 1.2178283
• Molar Refractivity: 50.5451 cm^3
• Polarizability: 20.00582 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%