quinolin-2-ylmethanamine

• ChemBase ID: 55437
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: n1c(ccc2c1cccc2)CN
• Canonical SMILES: NCc1ccc2c(n1)cccc2
• InChI: InChI=1S/C10H10N2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7,11H2
• InChIKey: HGHPGHVNTQSTNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-2-ylmethanamine; (quinolin-2-yl)methanamine
• IUPAC Traditional name: quinolin-2-ylmethanamine
• Synonyms: (quinolin-2-ylmethyl)amine; 1-quinolin-2-ylmethanamine; (Quinolin-2-ylmethyl)amine hydrochloride; (Quinolin-2-yl)methylamine; 2-(Aminomethyl)quinoline; C-Quinolin-2-yl-methylamine; 2-QUINOLINEMETHANAMINE; 1-Quinolin-2-yl-methanamine

Database IDs

• CAS Number: 885270-90-6; 5760-20-3
• MDL Number: MFCD02853685; MFCD09261030; MFCD09966142
• PubChem SID: 162060200
• PubChem CID: 3014378

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.403273
• LogD (pH = 7.4): 0.16319142
• Log P: 1.3381408
• Molar Refractivity: 47.9305 cm^3
• Polarizability: 20.426949 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 30 - 32°C
• Hydrophobicity(logP): 0.981

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 95%; 96%; 98%