quinolin-6-ylmethanamine

• ChemBase ID: 57213
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: c1(ccc2c(c1)cccn2)CN
• Canonical SMILES: NCc1ccc2c(c1)cccn2
• InChI: InChI=1S/C10H10N2/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h1-6H,7,11H2
• InChIKey: RZIPENSSTUBRAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-6-ylmethanamine
• IUPAC Traditional name: quinolin-6-ylmethanamine
• Synonyms: quinolin-6-ylmethanamine; (Quinolin-6-ylmethyl)amine

Database IDs

• CAS Number: 99071-54-2
• MDL Number: MFCD02853688
• PubChem SID: 162061976
• PubChem CID: 1514384

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7434987
• LogD (pH = 7.4): -0.7339935
• Log P: 1.2566689
• Molar Refractivity: 48.4527 cm^3
• Polarizability: 20.425728 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.981

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%